crystal violet cation (CHEBI:77181)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	crystal violet cation

ChEBI ID	CHEBI:77181

Definition	An iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C25H30N3

Net Charge

Average Mass

372.52530

Monoisotopic Mass

372.24342

InChI

InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1

InChIKey

LGLFFNDHMLKUMI-UHFFFAOYSA-N

SMILES

CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C

Roles Classification
Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

ChEBI Ontology
Outgoing	crystal violet cation (CHEBI:77181) has role antibacterial agent (CHEBI:33282) crystal violet cation (CHEBI:77181) has role antifungal agent (CHEBI:35718) crystal violet cation (CHEBI:77181) is a iminium ion (CHEBI:35286)

Incoming	crystal violet (CHEBI:41688) has part crystal violet cation (CHEBI:77181)

IUPAC Name

4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium

Last Modified

22 February 2017