10087050
  -OEChem-05012417352D

 40 39  0     0  0  0  0  0  0999 V2000
    8.1274    3.6932    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8594    4.6932    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4934    5.0592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4934    3.3272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6274    4.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6274    2.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    6.5758    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2613    3.1932    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9440    5.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260    5.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    6.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228    7.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9934    4.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    4.1196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    3.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    2.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    3.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    2.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    1.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6150    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5337    5.4331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7363    5.4331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    7.0774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7244    7.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872    7.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212    7.7492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7244    3.5032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 15  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
10087050

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
275

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQQQAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-hexyl-3-methyl-imidazol-3-ium;trifluoromethylsulfonylazanide

> <PUBCHEM_IUPAC_CAS_NAME>
1-hexyl-3-methylimidazol-3-ium;trifluoromethylsulfonylazanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-hexyl-3-methylimidazol-3-ium;trifluoromethylsulfonylazanide

> <PUBCHEM_IUPAC_NAME>
1-hexyl-3-methylimidazol-3-ium;trifluoromethylsulfonylazanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-hexyl-3-methyl-imidazol-3-ium;trifluoromethylsulfonylazanide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-hexyl-3-methyl-imidazol-3-ium;triflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H19N2.CHF3NO2S/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3,4)8(5,6)7/h8-10H,3-7H2,1-2H3;(H-,5,6,7)/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
UWSBQKJKMXZOPD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
315.12283255

> <PUBCHEM_MOLECULAR_FORMULA>
C11H20F3N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
315.36

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[NH-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[NH-]

> <PUBCHEM_CACTVS_TPSA>
52.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.12283255

> <PUBCHEM_TOTAL_CHARGE>
0

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  18  8
7  15  8
7  16  8
8  15  8
8  18  8

$$$$