62705237
  -OEChem-05032419562D

 46 46  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
    0.2045    6.8520    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
    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
    2.8026    8.3520    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
    3.3026    7.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4717    9.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2807    7.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3852    8.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365    7.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    9.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365    6.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    6.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026    6.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    5.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026    5.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365    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
    2.7362    7.2338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941    6.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    9.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9701    9.4596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3455    7.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9007    7.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    8.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    9.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    8.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    7.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    9.4819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5987    9.4360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    8.5604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3395    6.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336    5.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3395    5.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9365    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 11  2  0  0  0  0
  1 15  1  0  0  0  0
  1 28  1  0  0  0  0
  2 12  2  0  0  0  0
  2 13  2  0  0  0  0
  2 15  1  0  0  0  0
  2 29  1  0  0  0  0
  3 23  1  0  0  0  0
  4 28  1  0  0  0  0
  5 28  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 29  1  0  0  0  0
  9 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  CHG  2  14   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
62705237

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
561

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOcBgAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHQQAQAAADADBGBwyAIMAAAKAAiBCAHCCAAAgAAAIiAAIBIgIICKAkRGEIAhggACIiAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;1-[(2-fluorophenyl)methyl]-1-methyl-pyrrolidin-1-ium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;1-[(2-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;1-[(2-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-[(2-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-[(2-fluorophenyl)methyl]-1-methyl-pyrrolidin-1-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ditriflylazanide;1-(2-fluorobenzyl)-1-methyl-pyrrolidin-1-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H17FN.C2F6NO4S2/c1-14(8-4-5-9-14)10-11-6-2-3-7-12(11)13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-3,6-7H,4-5,8-10H2,1H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
ZLBYSAPUMSQJFI-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
474.05179651

> <PUBCHEM_MOLECULAR_FORMULA>
C14H17F7N2O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
474.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1(CCCC1)CC2=CC=CC=C2F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1(CCCC1)CC2=CC=CC=C2F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
86

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
474.05179651

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8

$$$$