16212746
  -OEChem-06191315432D

 45 44  0     0  0  0  0  0  0999 V2000
    8.4564    4.4432    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1885    5.4432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8225    4.0772    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225    5.8092    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5904    3.9432    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9564    5.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9564    3.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010    8.0758    0.0000 N   0  3  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    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0369    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
    4.0010    5.5369    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
    1.4030    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    7.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920    7.1247    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
    3.5010    8.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0888    8.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3225    4.9432    0.0000 C   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
    2.0569    4.1195    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
    2.9230    5.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    4.9293    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
    4.2131    4.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    5.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    2.6195    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
    5.3997    6.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6024    6.9331    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
    3.1366    8.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904    8.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4532    9.3864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872    9.2492    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 22  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 17  2  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
16212746

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
281

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAAAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-3-octyl-imidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-3-octylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
1-methyl-3-octylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-3-octyl-imidazol-1-ium;tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methyl-3-octyl-imidazol-1-ium;triflate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H23N2.CHF3O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)8(5,6)7/h10-12H,3-9H2,1-2H3;(H,5,6,7)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
BCVMAYRUJBXMAP-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
344.138148

> <PUBCHEM_MOLECULAR_FORMULA>
C13H23F3N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
344.39353

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
74.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
344.138148

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
18  20  8
8  17  8
8  18  8
9  17  8
9  20  8

$$$$