67156
  -OEChem-05042402062D

 24 22  0     0  0  0  0  0  0999 V2000
    2.4520    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.1350    2.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0010    4.4030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.9030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    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
    2.6675    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.8779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399    5.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    4.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
67156

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
105

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAYAAAAAADBgAQCAANiAAAIAAEQEAAAAAAAAAISIACIAAAAQAAAACAQAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-hydrazino-2-oxo-ethyl)-trimethyl-ammonium;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
(2-hydrazinyl-2-oxoethyl)-trimethylammonium;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-hydrazinyl-2-oxoethyl)-trimethylazanium;chloride

> <PUBCHEM_IUPAC_NAME>
(2-hydrazinyl-2-oxoethyl)-trimethylazanium;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-diazanyl-2-oxidanylidene-ethyl)-trimethyl-azanium;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-hydrazino-2-keto-ethyl)-trimethyl-ammonium;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
YSULOORXQBDPCU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
167.0825398

> <PUBCHEM_MOLECULAR_FORMULA>
C5H14ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
167.64

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

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

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
167.0825398

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$