11750474
  -OEChem-04262406182D

 40 39  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
    2.1662    7.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6662    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
    2.1662    6.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752    7.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572    7.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662    8.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9263    7.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540    9.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    4.8520    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
    2.3783    5.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768    6.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0882    6.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6896    5.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7676    7.7482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    9.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    7.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5160    7.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179    8.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    9.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6184   10.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524   10.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6802    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9202    4.8520    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 24  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 25  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 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 14 20  1  0  0  0  0
 14 22  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 21  1  0  0  0  0
 18 23  1  0  0  0  0
 18 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
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
11750474

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
477

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOcBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACADBAxQvkBcMEAKgABInZHAAgC0REqAJQAAYMACASAAACAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15N2.C2F6NO4S2/c1-4-5-10-7-6-9(3)8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7H,4-5H2,1-3H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
XOZHIVUWCICHSQ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
419.04081729

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15F6N3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
419.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN1C=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>
419.04081729

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  17  8
13  19  8
14  17  8
14  20  8
19  20  8

$$$$