53316407
  -OEChem-04192420442D

 64 63  0     0  0  0  0  0  0999 V2000
   12.7866    5.9432    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0545    5.9432    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5186    6.9432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1526    7.3092    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1526    5.5772    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3225    6.9432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6885    5.5772    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6885    7.3092    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2866    6.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2866    5.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5545    5.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5545    6.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2331   11.0758    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.9205    5.4432    0.0000 N   0  5  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
    3.1350    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.5369    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
    4.8671    7.0369    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
    4.8671    8.0369    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
    5.7331    8.5369    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
    6.5421   10.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9241   10.1247    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
    5.2331   11.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8209   11.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6526    6.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1885    6.4432    0.0000 C   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
    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
    3.7890    7.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3905    6.4293    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
    5.0791    6.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    7.1446    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
    4.6550    8.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2565    7.9293    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
    5.9451    7.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3437    8.6446    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
    7.1318    9.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3344    9.9331    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
    4.8687   11.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3225   11.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1853   12.3864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3193   12.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 15  1  0  0  0  0
  1 32  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  2 33  1  0  0  0  0
  3 32  1  0  0  0  0
  4 32  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 33  1  0  0  0  0
  8 33  1  0  0  0  0
 13 24  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 27  2  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 29  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 30  2  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
53316407

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
556

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OcBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-dodecyl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ditriflylazanide;1-lauryl-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H31N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h14-16H,3-13H2,1-2H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
RJCNRVFKCLDBEC-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
531.16601780

> <PUBCHEM_MOLECULAR_FORMULA>
C18H31F6N3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
531.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
94.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
531.16601780

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
13  27  8
13  28  8
14  27  8
14  30  8
28  30  8

$$$$