Ketcher 11211916302D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
    0.6882    2.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6882    1.3507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1882   -0.1882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -0.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1882   -0.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    2.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  4  6  1  0     0  0
  6  7  2  0     0  0
  2  7  1  0     0  0
  1  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
M  CHG  1   4   1
M  END
> <ID>
CHEBI:61333

> <NAME>
1-butyl-3-methylimidazolium

> <DEFINITION>
A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is butyl.

> <STAR>
3

> <SYNONYM>
N-butyl-N'-methylimidazolium; [C4mim]; [bmim]

> <IUPAC_NAME>
1-butyl-3-methyl-1H-imidazol-3-ium

> <FORMULA>
C8H15N2

> <MASS>
139.221

> <MONOISOTOPIC_MASS>
139.12297

> <CHARGE>
1

> <SMILES>
C(N1C=[N+](C)C=C1)CCC

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

> <INCHIKEY>
IQQRAVYLUAZUGX-UHFFFAOYSA-N

> <PDBECHEM_ACCESSION>
BM0

$$$$