60173029
  -OEChem-05132405122D

 39 38  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
    3.0726    7.8520    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
    2.5726    8.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726    8.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2066    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9386    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2066    6.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3406    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3406    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
    2.4650    9.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9900    8.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552    8.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    9.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945    7.9347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960    7.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    6.8151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756    7.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    7.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    5.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172    6.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    6.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300    5.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7206    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3406    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9606    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 14  1  0  0  0  0
  1 22  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 23  1  0  0  0  0
  8 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60173029

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
448

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOcBgAAAAAAAAAAAAFgAAAAAAAAAAAAAAAAAAAAAAAAAAHQQAQAAACADBABQCAAMAAAIAAAAAAHAAAAAAAAAAAAAIAAAAAAAAgAAEAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methyl-aziridin-1-ium

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylaziridin-1-ium

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methyl-aziridin-1-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-butyl-1-methyl-ethylenimin-1-ium;ditriflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H16N.C2F6NO4S2/c1-3-4-5-8(2)6-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H2,1-2H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
RGCIANHLVXXWHD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
394.04556832

> <PUBCHEM_MOLECULAR_FORMULA>
C9H16F6N2O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
394.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[N+]1(CC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[N+]1(CC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
86

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.04556832

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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

$$$$