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CHEBI:77181 - crystal violet cation

Default Structure
ChEBI IDCHEBI:77181
ChEBI Namecrystal violet cation
Stars
DefinitionAn 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.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H30N3
Net Charge+1
Average Mass372.536
Monoisotopic Mass372.24342
SMILESCN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1
InChIInChI=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
InChIKeyLGLFFNDHMLKUMI-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonyms  Source
crystal violet(1+)ChEBI
crystal violet carbocationChEBI
crystal violet ion(1)ChemIDplus
gentian violet(1+)ChEBI
gentian violet carbocationChEBI
gentian violet cationChemIDplus
Manual XrefsDatabases
4138DrugCentral
Registry NumbersSources
Reaxys:1892148Reaxys
CAS:7438-46-2ChemIDplus