106428
  -OEChem-04232407412D

 35 33  0     0  0  0  0  0  0999 V2000
    3.7510    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.7331    5.4030    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
    4.8671    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
    3.1350    3.9030    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
    4.0010    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    2.9030    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
    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
    0.2269    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
    4.3996    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
    4.8671    3.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751    3.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    4.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    4.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    2.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  2  0  0  0  0
  3  5  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 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
106428

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
192

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADADBgAQCAAPAAACIAgFSEACAAAAAAAAAAIEIAEAAAAAAQQAEAAAAFgCAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]ammonium;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
trimethyl-[3-[(2-methyl-1-oxoprop-2-enyl)amino]propyl]ammonium;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride

> <PUBCHEM_IUPAC_NAME>
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methacrylamidopropyl(trimethyl)ammonium;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
UZNHKBFIBYXPDV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
220.1342410

> <PUBCHEM_MOLECULAR_FORMULA>
C10H21ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.74

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

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

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.1342410

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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

$$$$