12040508
  -OEChem-05072407352D

 37 36  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
    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
    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
    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
    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
    2.5464    7.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0464    8.8909    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
    2.5464    6.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3554    7.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7374    7.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0464    8.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804    4.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342    9.6999    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
    0.8660    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7584    5.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570    6.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683    6.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    5.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9451    7.7482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1477    7.7482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    9.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1358    9.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9986   10.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1326   10.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  2 24  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 24  1  0  0  0  0
  8 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 14 20  1  0  0  0  0
 14 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 21  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 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
M  CHG  2  14   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
12040508

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
457

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOcBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAAACAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propyl-imidazol-1-ium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propyl-imidazol-1-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ditriflylazanide;1-methyl-3-propyl-imidazol-1-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H13N2.C2F6NO4S2/c1-3-4-9-6-5-8(2)7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,3-4H2,1-2H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
CDWUIWLQQDTHRA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
405.02516722

> <PUBCHEM_MOLECULAR_FORMULA>
C9H13F6N3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
405.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
94.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
405.02516722

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  19  8
14  18  8
14  20  8
19  20  8

$$$$