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 ChemicalBook:CB0350572, ZINC000000519823
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