24787984
  -OEChem-05102403392D

 38 37  0     0  0  0  0  0  0999 V2000
    7.4847    2.9432    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2168    3.9432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508    2.5772    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8508    4.3092    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6187    2.4432    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9847    3.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9847    2.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    5.0758    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0780    4.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4600    4.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    5.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    3.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3568    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3508    3.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    2.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    2.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    1.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8703    3.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4046    5.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    3.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6187    3.6241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    4.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584    5.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212    6.3864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    6.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  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
 19 38  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
24787984

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
280

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAAAAAAADBAxQvkBcMEAKgABInZHAAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,3-dimethylimidazol-3-ium-1-yl)-N,N-dimethyl-ethanamine;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2,3-dimethyl-1-imidazol-3-iumyl)-N,N-dimethylethanamine;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,3-dimethylimidazol-3-ium-1-yl)-<I>N</I>,<I>N</I>-dimethylethanamine;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
2-(2,3-dimethylimidazol-3-ium-1-yl)-N,N-dimethylethanamine;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2,3-dimethylimidazol-3-ium-1-yl)-N,N-dimethyl-ethanamine;tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl-dimethyl-amine;triflate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H18N3.CHF3O3S/c1-9-11(4)6-8-12(9)7-5-10(2)3;2-1(3,4)8(5,6)7/h6,8H,5,7H2,1-4H3;(H,5,6,7)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
KRCBUMCEHSRTRS-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
317.10209710

> <PUBCHEM_MOLECULAR_FORMULA>
C10H18F3N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
317.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=[N+](C=CN1CCN(C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=[N+](C=CN1CCN(C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
77.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.10209710

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  15  8
8  13  8
8  14  8
9  13  8
9  15  8

$$$$