22721228
  -OEChem-04252404412D

 33 32  0     0  0  0  0  0  0999 V2000
    6.7018    2.7347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    3.7347    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0678    2.3687    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0678    4.1008    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8358    2.2347    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2018    3.6008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2018    1.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    3.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860    4.6588    0.0000 N   0  3  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
    2.2950    3.7078    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
    0.6770    3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860    4.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2461    3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738    5.4679    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
    7.5678    3.2347    0.0000 C   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
    0.0874    3.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216    5.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0545    2.8091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8358    3.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4377    3.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0754    5.1034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382    5.9694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722    5.8323    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  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
22721228

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
248

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAAAAACADBAxQvkBcMEAKgABInZHAAgC0REqAJQAAYMACASAAACAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-dimethyl-3-propyl-imidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-dimethyl-3-propylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2-dimethyl-3-propylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
1,2-dimethyl-3-propylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dimethyl-3-propyl-imidazol-1-ium;tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2-dimethyl-3-propyl-imidazol-1-ium;triflate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15N2.CHF3O3S/c1-4-5-10-7-6-9(3)8(10)2;2-1(3,4)8(5,6)7/h6-7H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
SFMSTOAIRJVLBS-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
288.07554800

> <PUBCHEM_MOLECULAR_FORMULA>
C9H15F3N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
288.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
74.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.07554800

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
13  14  8
8  11  8
8  13  8
9  11  8
9  14  8

$$$$