58864687
  -OEChem-05102422492D

 29 29  0     0  0  0  0  0  0999 V2000
    4.5981   -0.9909    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4909    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4909    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.8569    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -0.9909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.9909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -3.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -1.6249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.0479    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9909    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519    3.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.0735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.6167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.5917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    1.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654    1.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5997    3.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0535    3.4925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    4.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    4.2214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  1  0  0  0  0
  5 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  CHG  2  11   1  12  -1
M  END
> <PUBCHEM_COMPOUND_CID>
58864687

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
505

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOYBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAAAADFQhSvkBcMEAKgABAnZHBAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-methylimidazol-3-ium-1-yl)ethylsulfonyl-(trifluoromethylsulfonyl)azanide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3-methyl-1-imidazol-3-iumyl)ethylsulfonyl-(trifluoromethylsulfonyl)azanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3-methylimidazol-3-ium-1-yl)ethylsulfonyl-(trifluoromethylsulfonyl)azanide

> <PUBCHEM_IUPAC_NAME>
2-(3-methylimidazol-3-ium-1-yl)ethylsulfonyl-(trifluoromethylsulfonyl)azanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3-methylimidazol-3-ium-1-yl)ethylsulfonyl-(trifluoromethylsulfonyl)azanide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-methylimidazol-3-ium-1-yl)ethylsulfonyl-triflyl-azanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H10F3N3O4S2/c1-12-2-3-13(6-12)4-5-18(14,15)11-19(16,17)7(8,9)10/h2-3,6H,4-5H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KIMJJTLAMCWVOB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
321.00648264

> <PUBCHEM_MOLECULAR_FORMULA>
C7H10F3N3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
321.3

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

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

> <PUBCHEM_CACTVS_TPSA>
94.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
321.00648264

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
10  16  8
11  15  8
11  17  8
16  17  8

$$$$