11411114
  -OEChem-05112409342D

 68 68  0     0  0  0  0  0  0999 V2000
    4.5841    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8521    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    4.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    5.9641    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3162    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9501    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0841    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    8.0981    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0981    9.6369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    8.9646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6672    7.4258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7181    0.3660    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.4071    8.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6859   10.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3582    8.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    8.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    9.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791   11.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    9.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0332   10.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8669   12.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9762    8.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0332   11.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6672    7.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4602   13.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8992   11.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4501    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101    6.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    7.2057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166    9.9999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999   10.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    8.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336   10.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    7.1807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215    6.4904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8484   11.8055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651   11.0128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9551   10.5472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5566    9.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2452    9.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6438   10.5723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441    5.0155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    5.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2976   11.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3809   12.5152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5658    8.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8211   12.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4226   11.3570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0316    6.9242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266   13.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2080   13.6484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8938   12.8299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2092   11.4277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4362   12.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5892   12.5016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1 13  2  0  0  0  0
  1 20  1  0  0  0  0
  1 39  1  0  0  0  0
  2 14  2  0  0  0  0
  2 15  2  0  0  0  0
  2 20  1  0  0  0  0
  2 40  1  0  0  0  0
  3 36  1  0  0  0  0
  4 36  1  0  0  0  0
  5 36  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
  9 40  1  0  0  0  0
 10 40  1  0  0  0  0
 11 40  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 16 25  1  0  0  0  0
 17 21  1  0  0  0  0
 17 23  1  0  0  0  0
 17 26  1  0  0  0  0
 18 24  1  0  0  0  0
 18 29  1  0  0  0  0
 18 33  1  0  0  0  0
 19 24  2  0  0  0  0
 19 35  1  0  0  0  0
 21 24  1  0  0  0  0
 22 27  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 28  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 31  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 32  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 34  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 36  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 37  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 33 35  2  0  0  0  0
 33 59  1  0  0  0  0
 34 38  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
 37 63  1  0  0  0  0
 37 64  1  0  0  0  0
 37 65  1  0  0  0  0
 38 66  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
M  CHG  2  16   1  20  -1
M  END
> <PUBCHEM_COMPOUND_CID>
11411114

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
752

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
15

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7ucBgAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAB4AAAHQQAQAAACADBAxQvkBcMEAKgABInZHAAgC0REqAJQAAYMACASAAAiAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butylimidazol-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butyl-2-imidazolyl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butylimidazol-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butylimidazol-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butylimidazol-2-yl)-3-[4,4,4-tris(fluoranyl)butyl]imidazol-3-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-butyl-2-(1-butylimidazol-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium;ditriflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H28F3N4.C2F6NO4S2/c1-3-5-10-23-13-9-22-16(23)17-24(11-6-4-2)14-15-25(17)12-7-8-18(19,20)21;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9,13-15H,3-8,10-12H2,1-2H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
DLJHSISGUVKJDG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
637.14390020

> <PUBCHEM_MOLECULAR_FORMULA>
C20H28F9N5O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
637.6

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

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

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
637.14390020

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <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  21  8
16  25  8
17  21  8
17  26  8
18  24  8
18  33  8
19  24  8
19  35  8
25  26  8
33  35  8

$$$$