EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87650 - methyl green(2+)

ChEBI IDCHEBI:87650
ChEBI Namemethyl green(2+)
Stars
DefinitionAn iminium ion that forms the cationic portion of the histological dye 'methyl green'.
Last Modified3 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC26H33N3
Net Charge+2
Average Mass387.571
Monoisotopic Mass387.26635
SMILESCN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc([N+](C)(C)C)cc2)cc1
InChIInChI=1S/C26H33N3/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7/h8-19H,1-7H3/q+2
InChIKeyCKTYULMXIIQZGG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl green(2+) (CHEBI:87650) is a iminium ion (CHEBI:35286)
methyl green(2+) (CHEBI:87650) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
methyl green (CHEBI:87649) has part methyl green(2+) (CHEBI:87650)
IUPAC Name 
(4-{[4-(dimethylamino)phenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium
Synonym  Source
methyl green cationChEBI
Registry NumbersSources
Reaxys:3914106Reaxys