2724133
  -OEChem-04192415592D

 13 11  0     0  0  0  0  0  0999 V2000
    1.1530    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    4.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    4.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    5.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.2400    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  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
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
2724133

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
26.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBCAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAAAAAAAAAAAAQCAAMAAAAgAAABBAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dimethyl(methylene)ammonium;iodide

> <PUBCHEM_IUPAC_CAS_NAME>
dimethyl(methylene)ammonium;iodide

> <PUBCHEM_IUPAC_NAME_MARKUP>
dimethyl(methylidene)azanium;iodide

> <PUBCHEM_IUPAC_NAME>
dimethyl(methylidene)azanium;iodide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dimethyl(methylidene)azanium;iodide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dimethyl(methylene)ammonium;iodide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H8N.HI/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
VVDUZZGYBOWDSQ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
184.97015

> <PUBCHEM_MOLECULAR_FORMULA>
C3H8IN

> <PUBCHEM_MOLECULAR_WEIGHT>
185.01

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+](=C)C.[I-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+](=C)C.[I-]

> <PUBCHEM_CACTVS_TPSA>
3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.97015

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$