CHEBI:90181 - iodine green(2+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name iodine green(2+)
ChEBI ID CHEBI:90181
Definition An iminium ion that forms the cationic portion of the histological dye 'iodine green'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H35N3
Net Charge +2
Average Mass 401.588
Monoisotopic Mass 401.28200
InChI InChI=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
InChIKey XPIWPALOXVBQHJ-UHFFFAOYSA-N
SMILES C(C=1C=CC([N+](C)(C)C)=CC1)(C2=CC(=C(N(C)C)C=C2)C)=C3C=CC(=[N+](C)C)C=C3
ChEBI Ontology
Outgoing iodine green(2+) (CHEBI:90181) is a iminium ion (CHEBI:35286)
iodine green(2+) (CHEBI:90181) is a quaternary ammonium ion (CHEBI:35267)
Incoming 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 cation ChEBI
Last Modified
03 November 2015