24766550
  -OEChem-05211323472D

 41 40  0     0  0  0  0  0  0999 V2000
    9.4375    3.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054    3.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734    4.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3394    3.0339    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3394    4.7660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1695    4.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8035    4.7660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8035    3.0339    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2054    2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2054    4.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375    4.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375    2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7690    5.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714    2.9000    0.0000 N   0  5  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
    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
    3.0780    4.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4600    4.1247    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
    1.7690    5.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3568    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8394    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3035    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    6.7983    0.0000 C   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
    1.1909    2.6195    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
    3.6677    3.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8703    3.9331    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
    1.4046    5.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    5.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    7.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    6.8632    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 25  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 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 25  1  0  0  0  0
  8 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 14 22  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 18  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 26  2  0  0  0  0
 23 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24766550

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
496

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOcBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAAAiAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-3-vinyl-imidazol-1-ium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-3-ethenylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-3-ethenylimidazol-1-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-3-ethenyl-imidazol-1-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-butyl-3-vinyl-imidazol-1-ium;ditriflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H15N2.C2F6NO4S2/c1-3-5-6-11-8-7-10(4-2)9-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4,7-9H,2-3,5-6H2,1H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
ALDIECUKIYBNLB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
431.040817

> <PUBCHEM_MOLECULAR_FORMULA>
C11H15F6N3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
431.374919

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[N+]1=CN(C=C1)C=C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[N+]1=CN(C=C1)C=C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
94.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
431.040817

> <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  19  8
13  20  8
14  19  8
14  22  8
20  22  8

$$$$