66561544
  -OEChem-05012417432D

 80 79  0     1  0  0  0  0  0999 V2000
   10.9957    7.6798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2637    7.6798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7278    8.6798    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3618    9.0459    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3618    7.3138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5316    8.6798    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8977    7.3138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8977    9.0459    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4957    8.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4957    6.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7637    6.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7637    8.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    6.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7181    7.6588    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3521    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1297    7.1798    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.2181    5.1200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0841    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8991    9.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059    8.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869   10.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0802   11.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0271    6.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680   11.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091    6.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7181    7.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0841    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612   12.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490   13.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423   14.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   15.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8618    8.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3977    8.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    9.8274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851    9.0347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7366    8.0219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8199    8.8146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9176    9.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009   10.5371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495   11.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662   10.7573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6168    6.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0986   11.4670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1820   12.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194    6.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3536    8.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0841    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601    4.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4871    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6401    5.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   13.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472   12.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2797   13.1896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630   13.9822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740    3.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8754    3.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116   14.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283   14.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981    1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    2.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079    2.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094    1.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5316   14.9937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945   15.8597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285   15.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    0.6200    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 17  1  0  0  0  0
  1 39  1  0  0  0  0
  2 12  2  0  0  0  0
  2 13  2  0  0  0  0
  2 17  1  0  0  0  0
  2 40  1  0  0  0  0
  3 39  1  0  0  0  0
  4 39  1  0  0  0  0
  5 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 40  1  0  0  0  0
  8 40  1  0  0  0  0
  9 26  2  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 14 27  1  0  0  0  0
 15 21  1  0  0  0  0
 15 24  2  0  0  0  0
 15 28  1  0  0  0  0
 16 26  1  0  0  0  0
 16 33  1  0  0  0  0
 16 66  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  1  0  0  0
 18 41  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 31  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 27 28  2  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 32  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 32 34  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 33 35  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 34 37  1  0  0  0  0
 34 69  1  0  0  0  0
 34 70  1  0  0  0  0
 35 36  1  0  0  0  0
 35 71  1  0  0  0  0
 35 72  1  0  0  0  0
 36 38  1  0  0  0  0
 36 73  1  0  0  0  0
 36 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 37 77  1  0  0  0  0
 38 78  1  0  0  0  0
 38 79  1  0  0  0  0
 38 80  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
> <PUBCHEM_COMPOUND_CID>
66561544

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
720

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7ucBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHwQQQAAADSjBghQvkBfMEAKoABE3dHAAgC0REqAJQIGYMACASBIAiCAUAAAIFgKAACEQgIAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;(2S)-N-butyl-3-methyl-2-(3-nonylimidazol-3-ium-1-yl)butanamide

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;(2S)-N-butyl-3-methyl-2-(3-nonyl-1-imidazol-3-iumyl)butanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;(2<I>S</I>)-<I>N</I>-butyl-3-methyl-2-(3-nonylimidazol-3-ium-1-yl)butanamide

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;(2S)-N-butyl-3-methyl-2-(3-nonylimidazol-3-ium-1-yl)butanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;(2S)-N-butyl-3-methyl-2-(3-nonylimidazol-3-ium-1-yl)butanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-N-butyl-3-methyl-2-(3-nonylimidazol-3-ium-1-yl)butyramide;ditriflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H39N3O.C2F6NO4S2/c1-5-7-9-10-11-12-13-15-23-16-17-24(18-23)20(19(3)4)21(25)22-14-8-6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h16-20H,5-15H2,1-4H3;/q;-1/p+1/t20-;/m0./s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZDOCVLNKALENJC-BDQAORGHSA-O

> <PUBCHEM_EXACT_MASS>
630.23443171

> <PUBCHEM_MOLECULAR_FORMULA>
C23H40F6N4O5S2

> <PUBCHEM_MOLECULAR_WEIGHT>
630.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC[N+]1=CN(C=C1)C(C(C)C)C(=O)NCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCC[N+]1=CN(C=C1)[C@@H](C(C)C)C(=O)NCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
630.23443171

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
14  24  8
14  27  8
15  24  8
15  28  8
18  26  5
27  28  8

$$$$