EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61333 - 1-butyl-3-methylimidazolium

Default Structure
ChEBI IDCHEBI:61333
ChEBI Name1-butyl-3-methylimidazolium
Stars
DefinitionA 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is butyl.
Last Modified21 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H15N2
Net Charge+1
Average Mass139.222
Monoisotopic Mass139.12297
SMILESCCCCn1cc[n+](C)c1
InChIInChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1
InChIKeyIQQRAVYLUAZUGX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-butyl-3-methylimidazolium (CHEBI:61333) is a 1-alkyl-3-methylimidazolium (CHEBI:61321)
Incoming Relation(s)
1-butyl-3-methylimidazolium iodide (CHEBI:61335) has part 1-butyl-3-methylimidazolium (CHEBI:61333)
IUPAC Name 
1-butyl-3-methyl-1H-imidazol-3-ium
Synonyms  Source
[bmim]ChEBI
[C4mim]ChEBI
N-butyl-N'-methylimidazoliumChEBI
Manual XrefsDatabases
BM0PDBeChem