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CHEBI:77181 - crystal violet cation

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:
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 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
gentian violet(1+)ChEBI
crystal violet(1+)ChEBI
crystal violet ion(1)ChemIDplus
gentian violet cationChemIDplus
gentian violet carbocationChEBI
crystal violet carbocationChEBI
Manual XrefsDatabases
4138DrugCentral
Registry NumbersSources
Reaxys:1892148Reaxys
CAS:7438-46-2ChemIDplus