46191760
  -OEChem-05032420542D

 82 81  0     0  0  0  0  0  0999 V2000
   15.3846    8.1932    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6526    8.1932    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1167    9.1932    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7507    9.5592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7507    7.8272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    9.1932    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2866    7.8272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2866    9.5592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846    9.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8846    7.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1526    7.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1526    9.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   14.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8312   15.5758    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5186    7.6932    0.0000 N   0  5  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
    4.8671    7.0369    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
    4.0010    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.5369    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
    6.5991   10.0369    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
    6.5991   11.0369    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
    7.4651   11.5369    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
    2.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   12.5369    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
    8.3312   13.0369    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
    9.1402   14.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5222   14.6247    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
    7.8312   15.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4190   16.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2507    8.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7866    8.6932    0.0000 C   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
    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
    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
    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
    5.5210   10.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1225    9.4293    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
    6.8112    9.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2097   10.1446    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
    6.3871   11.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885   10.9293    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
    7.6772   10.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757   11.6446    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
    2.4810    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
    7.2531   13.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8546   12.4293    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
    8.5432   12.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   13.1446    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
    9.7298   14.4331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9325   14.4331    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
    7.4667   16.0774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9205   16.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7834   16.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9174   16.7492    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 38  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 39  1  0  0  0  0
  3 38  1  0  0  0  0
  4 38  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 39  1  0  0  0  0
  8 39  1  0  0  0  0
 13 31  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 33  2  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 25  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 26  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 27  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 29  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 30  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 31  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 32  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 35  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 36  2  0  0  0  0
 34 75  1  0  0  0  0
 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
 35 78  1  0  0  0  0
 36 79  1  0  0  0  0
 37 80  1  0  0  0  0
 37 81  1  0  0  0  0
 37 82  1  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
46191760

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
628

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
19

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OcBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octadecylimidazol-1-ium

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H43N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h20-22H,3-19H2,1-2H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
DMEDSJKEUMLSKF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
615.25991818

> <PUBCHEM_MOLECULAR_FORMULA>
C24H43F6N3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
615.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCN1C=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>
615.25991818

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
39

> <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  33  8
13  34  8
14  33  8
14  36  8
34  36  8

$$$$