24766551
  -OEChem-05062403322D

 26 26  0     0  0  0  0  0  0999 V2000
    3.7320   -0.1307    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2320    1.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    0.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    0.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364    2.1524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7775    3.6323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7965    3.1955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
24766551

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
123

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAAAAAACADBAgQvkBcMEACgABAnZAAAgC0REqAJQAAYMACASAAAiAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-butyl-3-vinyl-imidazol-1-ium

> <PUBCHEM_IUPAC_CAS_NAME>
1-butyl-3-ethenylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-butyl-3-ethenylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME>
1-butyl-3-ethenylimidazol-1-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-butyl-3-ethenyl-imidazol-1-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-butyl-3-vinyl-imidazol-1-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H15N2/c1-3-5-6-11-8-7-10(4-2)9-11/h4,7-9H,2-3,5-6H2,1H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
PQOPTKHODJNNPC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
151.123523487

> <PUBCHEM_MOLECULAR_FORMULA>
C9H15N2+

> <PUBCHEM_MOLECULAR_WEIGHT>
151.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[N+]1=CN(C=C1)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[N+]1=CN(C=C1)C=C

> <PUBCHEM_CACTVS_TPSA>
8.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
151.123523487

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  6  8
1  7  8
2  6  8
2  9  8
7  9  8

$$$$