66559511
  -OEChem-04262411502D

 53 53  0     0  0  0  0  0  0999 V2000
    5.7665    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0344    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4985    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1325    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1325    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6684    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2665    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5344    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5344    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.4001    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9004    0.3660    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.9338    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    5.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319    5.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    6.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    4.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640    5.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6325    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353    4.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3324    4.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784    6.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798    6.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1984    5.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4013    5.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    7.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8032    7.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673    4.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0644    4.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    4.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9304    5.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1334    5.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9994    4.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7964    4.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    7.5547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    4.2455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5740    4.8632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8009    5.7101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    5.9370    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 30  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 31  1  0  0  0  0
  3 30  1  0  0  0  0
  4 30  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 31  1  0  0  0  0
  8 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  2  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 23  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 29  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
> <PUBCHEM_COMPOUND_CID>
66559511

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
605

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OcBgAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHQQAQAAADADBGBQyAIMAAAKgAjBjBHACAAAgAAAIiAAoAJgIIKKAkRGEIAAggACIiAcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;2-hexyl-3,4-dihydroisoquinolin-2-ium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;2-hexyl-3,4-dihydroisoquinolin-2-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;2-hexyl-3,4-dihydroisoquinolin-2-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;2-hexyl-3,4-dihydroisoquinolin-2-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;2-hexyl-3,4-dihydroisoquinolin-2-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ditriflylazanide;2-hexyl-3,4-dihydroisoquinolin-2-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22N.C2F6NO4S2/c1-2-3-4-7-11-16-12-10-14-8-5-6-9-15(14)13-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6,8-9,13H,2-4,7,10-12H2,1H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
FDUBIFGEJJIEPD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
496.09251851

> <PUBCHEM_MOLECULAR_FORMULA>
C17H22F6N2O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
496.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC[N+]1=CC2=CC=CC=C2CC1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC[N+]1=CC2=CC=CC=C2CC1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
89

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
496.09251851

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
20  22  8
20  25  8
22  26  8
25  27  8
26  28  8
27  28  8

$$$$