11331894
  -OEChem-05072422182D

 78 77  0     0  0  0  0  0  0999 V2000
    1.7320    5.8362    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.8362    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6157    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8837    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8362    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    5.4702    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    7.2023    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    6.8362    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    7.2023    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    5.4702    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3478    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9817    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9817    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1516    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5176    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    4.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    6.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641    6.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    4.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1157    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1157    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3837    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    7.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0342    8.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9651    9.3078    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.5342    7.0967    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5981    5.3362    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.7497    0.3660    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.2742    8.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2252    8.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    6.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0342    9.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9003   10.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6561    8.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8432    8.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9651    9.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5342    7.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9003   11.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5529   10.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9464    6.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7663   11.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4817    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0176    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    6.1864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    6.8766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8222   10.2181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4236    9.5279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    6.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    6.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1123    9.5529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5108   10.2432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0665    8.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4329    8.2393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6007    9.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8987    6.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    4.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    5.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6882   11.7181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2897   11.0279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0545    9.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9174   10.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0513   10.4813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4449    6.6521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5820    5.7861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4480    5.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0763   11.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3032   11.9455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4563   12.1725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  1 18  2  0  0  0  0
  1 29  1  0  0  0  0
  1 47  1  0  0  0  0
  2 19  2  0  0  0  0
  2 20  2  0  0  0  0
  2 29  1  0  0  0  0
  2 48  1  0  0  0  0
  3 21  2  0  0  0  0
  3 22  2  0  0  0  0
  3 30  1  0  0  0  0
  3 49  1  0  0  0  0
  4 23  2  0  0  0  0
  4 24  2  0  0  0  0
  4 30  1  0  0  0  0
  4 50  1  0  0  0  0
  5 47  1  0  0  0  0
  6 47  1  0  0  0  0
  7 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 48  1  0  0  0  0
 10 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 49  1  0  0  0  0
 13 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 50  1  0  0  0  0
 16 50  1  0  0  0  0
 25 31  1  0  0  0  0
 25 33  1  0  0  0  0
 25 37  1  0  0  0  0
 26 32  1  0  0  0  0
 26 34  1  0  0  0  0
 26 38  1  0  0  0  0
 27 31  2  0  0  0  0
 27 39  1  0  0  0  0
 27 43  1  0  0  0  0
 28 32  2  0  0  0  0
 28 40  1  0  0  0  0
 28 44  1  0  0  0  0
 31 32  1  0  0  0  0
 33 35  1  0  0  0  0
 33 51  1  0  0  0  0
 33 52  1  0  0  0  0
 34 36  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
 35 41  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
 36 42  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  1  0  0  0  0
 37 39  2  0  0  0  0
 37 59  1  0  0  0  0
 38 40  2  0  0  0  0
 38 60  1  0  0  0  0
 39 61  1  0  0  0  0
 40 62  1  0  0  0  0
 41 45  1  0  0  0  0
 41 63  1  0  0  0  0
 41 64  1  0  0  0  0
 42 46  1  0  0  0  0
 42 65  1  0  0  0  0
 42 66  1  0  0  0  0
 43 67  1  0  0  0  0
 43 68  1  0  0  0  0
 43 69  1  0  0  0  0
 44 70  1  0  0  0  0
 44 71  1  0  0  0  0
 44 72  1  0  0  0  0
 45 73  1  0  0  0  0
 45 74  1  0  0  0  0
 45 75  1  0  0  0  0
 46 76  1  0  0  0  0
 46 77  1  0  0  0  0
 46 78  1  0  0  0  0
M  CHG  4  27   1  28   1  29  -1  30  -1
M  END
> <PUBCHEM_COMPOUND_CID>
11331894

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
629

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
22

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7vcBwAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAB4AAAHQQAQAAACADBAxQvkBcMEAKgABInZHAAgC0REqAJQAAYMACASAAAiAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butyl-3-methyl-imidazol-3-ium-2-yl)-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butyl-3-methyl-2-imidazol-3-iumyl)-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butyl-3-methyl-imidazol-3-ium-2-yl)-3-methyl-imidazol-3-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-butyl-2-(1-butyl-3-methyl-imidazol-3-ium-2-yl)-3-methyl-imidazol-3-ium;ditriflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H28N4.2C2F6NO4S2/c1-5-7-9-19-13-11-17(3)15(19)16-18(4)12-14-20(16)10-8-6-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-14H,5-10H2,1-4H3;;/q+2;2*-1

> <PUBCHEM_IUPAC_INCHIKEY>
AMNPWOSVULTSEA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
836.0659845

> <PUBCHEM_MOLECULAR_FORMULA>
C20H28F12N6O8S4

> <PUBCHEM_MOLECULAR_WEIGHT>
836.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCN1C=C[N+](=C1C2=[N+](C=CN2CCCC)C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCN1C=C[N+](=C1C2=[N+](C=CN2CCCC)C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
190

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
836.0659845

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
50

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
25  31  8
25  37  8
26  32  8
26  38  8
27  31  8
27  39  8
28  32  8
28  40  8
37  39  8
38  40  8

$$$$