7886
  -OEChem-06292411182D

 27 25  0     0  0  0  0  0  0999 V2000
    2.8850    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9030    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    4.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    3.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0010    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3671    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    3.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9040    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6771    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    5.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0571    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9040    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  CHG  2   1  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
7886

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
158

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiOAIEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACCAAAADhgAYCAAMAARAAQAAAAIAAAAAAAAAAAAAIAAACAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trimethyl(2-phosphonooxyethyl)ammonium;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
trimethyl(2-phosphonooxyethyl)ammonium;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
trimethyl(2-phosphonooxyethyl)azanium;chloride

> <PUBCHEM_IUPAC_NAME>
trimethyl(2-phosphonooxyethyl)azanium;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trimethyl(2-phosphonooxyethyl)azanium;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trimethyl(2-phosphonooxyethyl)ammonium;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H14NO4P.ClH/c1-6(2,3)4-5-10-11(7,8)9;/h4-5H2,1-3H3,(H-,7,8,9);1H

> <PUBCHEM_IUPAC_INCHIKEY>
PYJNAPOPMIJKJZ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
219.0427227

> <PUBCHEM_MOLECULAR_FORMULA>
C5H15ClNO4P

> <PUBCHEM_MOLECULAR_WEIGHT>
219.60

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+](C)(C)CCOP(=O)(O)O.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+](C)(C)CCOP(=O)(O)O.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
66.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
219.0427227

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
