11212667
  -OEChem-05221306592D

 43 42  0     0  0  0  0  0  0999 V2000
    3.4641    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5577    7.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    9.3078    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3660    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.5577    6.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    6.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    8.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7487    8.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577    9.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178    8.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455   10.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7698    6.1864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1683    6.8766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796    6.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811    6.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037    4.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023    5.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590    8.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933    9.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1262    7.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9074    7.8562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5094    8.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    9.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0099   10.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439   10.4813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1 12  2  0  0  0  0
  1 15  1  0  0  0  0
  1 26  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 15  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 26  1  0  0  0  0
  8 26  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 20  1  0  0  0  0
 14 18  2  0  0  0  0
 14 21  1  0  0  0  0
 14 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
11212667

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
488

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOcBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACADBAxQvkBcMEAKgABInZHAAgC0REqAJQAAYMACASAAAiAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2,3-dimethylimidazol-3-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-2,3-dimethylimidazol-3-ium

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-butyl-2,3-dimethyl-imidazol-3-ium;ditriflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H17N2.C2F6NO4S2/c1-4-5-6-11-8-7-10(3)9(11)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-8H,4-6H2,1-3H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
UCCKRVYTJPMHRO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
433.056467

> <PUBCHEM_MOLECULAR_FORMULA>
C11H17F6N3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
433.390799

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
94.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
433.056467

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  18  8
13  20  8
14  18  8
14  21  8
20  21  8

$$$$