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CHEBI:82667 - DH335

ChEBI IDCHEBI:82667
ChEBI NameDH335
Stars
DefinitionAn organic bromide salt having 9-benzyl-2-butyl-9H-β-carbolin-2-ium as the counterion
Last Modified8 August 2014
SubmitterSteve
DownloadsMolfile
FormulaBr.C22H23N2
Net Charge0
Average Mass395.344
Monoisotopic Mass394.10446
SMILESCCCC[n+]1ccc2c3ccccc3n(Cc3ccccc3)c2c1.[Br-]
InChIInChI=1S/C22H23N2.BrH/c1-2-3-14-23-15-13-20-19-11-7-8-12-21(19)24(22(20)17-23)16-18-9-5-4-6-10-18;/h4-13,15,17H,2-3,14,16H2,1H3;1H/q+1;/p-1
InChIKeyINTSIMWLOMGYTJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
DH335 (CHEBI:82667) has part DH335(1+) (CHEBI:82668)
DH335 (CHEBI:82667) is a organic bromide salt (CHEBI:48369)
IUPAC Name 
9-benzyl-2-butyl-9H-β-carbolin-2-ium bromide
Synonyms  Source
DH-335ChEBI
DH 335ChEBI
Citations