25047757
  -OEChem-04242411142D

 54 53  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
    2.5049    6.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    8.8520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8709   10.3909    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
    1.6388    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    5.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049    7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    7.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388    4.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7728    6.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    4.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2369    6.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1799    9.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    9.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709   10.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4587   11.1999    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
    2.1758    5.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8340    5.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2928    7.9347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943    7.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830    7.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    7.9597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0188    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    6.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359    6.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4628    5.8151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9909    4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5469    5.8151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7739    6.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9269    6.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7696    9.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9722    9.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065   10.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9603   10.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8231   11.7015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571   11.5643    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 16  1  0  0  0  0
  1 29  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 16  1  0  0  0  0
  2 30  1  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 30  1  0  0  0  0
  8 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 25  2  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 31  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  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 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
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
> <PUBCHEM_COMPOUND_CID>
25047757

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
545

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzucBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACCjBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;N-isopropyl-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;N-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-N-propan-2-yl-2-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;<I>N</I>-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-<I>N</I>-propan-2-ylpropan-2-amine

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-N-propan-2-ylpropan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-N-propan-2-yl-propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diisopropyl-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amine;ditriflylazanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H24N3.C2F6NO4S2/c1-11(2)15(12(3)4)9-8-14-7-6-13(5)10-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7,10-12H,8-9H2,1-5H3;/q+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
WMJXTBOWASPLDU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
490.11431658

> <PUBCHEM_MOLECULAR_FORMULA>
C14H24F6N4O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
490.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N(CCN1C=C[N+](=C1)C)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N(CCN1C=C[N+](=C1)C)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
98.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
490.11431658

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
14  25  8
14  26  8
15  25  8
15  27  8
26  27  8

$$$$