2734251
  -OEChem-05092408282D

 42 41  0     0  0  0  0  0  0999 V2000
    8.3508    3.6932    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0828    4.6932    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7168    3.3272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7168    5.0592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4847    3.1932    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8508    4.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508    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
    2.2690    3.5369    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
    2.2690    2.5369    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
    3.9440    5.6247    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
    2.3260    5.6247    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
    4.8951    5.3157    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
    4.2228    7.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2168    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
    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
    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
    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
    1.7363    5.4331    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
    4.7035    4.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4847    5.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0867    5.9054    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
    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
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
  4 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  2  0  0  0  0
  9 17  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 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
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
2734251

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
281

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAAAAACADBAxQvkBcMEAKgABInZHAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-hexyl-2,3-dimethyl-imidazol-3-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
1-hexyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-hexyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
1-hexyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-hexyl-2,3-dimethyl-imidazol-3-ium;tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-hexyl-2,3-dimethyl-imidazol-3-ium;triflate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H21N2.CHF3O3S/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;2-1(3,4)8(5,6)7/h9-10H,4-8H2,1-3H3;(H,5,6,7)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
BQBJIBLQQWXKBH-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
330.12249820

> <PUBCHEM_MOLECULAR_FORMULA>
C12H21F3N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
330.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
74.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.12249820

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  17  8
8  14  8
8  16  8
9  14  8
9  17  8

$$$$