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CHEBI:90181 - iodine green(2+)

ChEBI IDCHEBI:90181
ChEBI Nameiodine green(2+)
Stars
DefinitionAn iminium ion that forms the cationic portion of the histological dye 'iodine green'.
Last Modified3 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H35N3
Net Charge+2
Average Mass401.598
Monoisotopic Mass401.28200
SMILESCc1cc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc([N+](C)(C)C)cc2)ccc1N(C)C
InChIInChI=1S/C27H35N3/c1-20-19-23(13-18-26(20)29(4)5)27(21-9-14-24(15-10-21)28(2)3)22-11-16-25(17-12-22)30(6,7)8/h9-19H,1-8H3/q+2
InChIKeyXPIWPALOXVBQHJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
iodine green(2+) (CHEBI:90181) is a iminium ion (CHEBI:35286)
iodine green(2+) (CHEBI:90181) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
iodine green (CHEBI:90179) has part iodine green(2+) (CHEBI:90181)
IUPAC Name 
(4-{[4-(dimethylamino)-3-methylphenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammonium
Synonym  Source
iodine green cationChEBI