2734230
  -OEChem-05201304592D

 55 55  0     0  0  0  0  0  0999 V2000
    8.0622    4.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    5.6149    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8712    4.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    4.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    5.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500    6.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.1587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -2.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.3413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.6587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.9935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.6837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.8413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.1587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    2.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -5.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    2.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    3.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -4.3413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -5.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -6.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -5.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4608    4.4723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6635    4.4723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.7339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1978    6.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    6.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5144    6.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6484    6.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  2  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 18  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  2  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
M  CHG  1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
2734230

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
206

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7AAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAAAAAACADBAgQvkBcMEACgABAnZAAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-3-tetradecyl-imidazol-1-ium

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-3-tetradecylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME>
1-methyl-3-tetradecylimidazol-1-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-3-tetradecyl-imidazol-1-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methyl-3-myristyl-imidazol-1-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
BMKLRPQTYXVGNK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.7

> <PUBCHEM_EXACT_MASS>
279.280024

> <PUBCHEM_MOLECULAR_FORMULA>
C18H35N2+

> <PUBCHEM_MOLECULAR_WEIGHT>
279.4839

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCN1C=C[N+](=C1)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCN1C=C[N+](=C1)C

> <PUBCHEM_CACTVS_TPSA>
8.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.280024

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  16  8
1  17  8
17  19  8
2  16  8
2  19  8

$$$$