Gentian violet

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Systematic / IUPAC Name: 4-{Bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium

ID: Reference2833

Other Names: Crystal violet base;
Crystal violet carbocation;
Crystal violet cation;
Gentian violet carbocation;
Gentian violet cation ; more

Formula: C25H30N3 +

Class: Therapeutics/Prescription Drugs Textile Chemicals/Auxiliary/Dyes Personal Care Products/Cosmetics Illegal Additives

Spectral Data

Gentian violet mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/1/2016 11:21:37 AM
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Identificators

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
InChI Key LGLFFNDHMLKUMI-UHFFFAOYSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
CAS 548629
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Other Names Crystal violet base;
Crystal violet carbocation;
Crystal violet cation;
Gentian violet carbocation;
Gentian violet cation;
Pyoctanin;
Pyoctanine;
4-{Bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium;
Bis[p-(dimethylamino)phenyl][p-(dimethylammonio)phenyl]methylium ;
Methylium, tris[4-(dimethylamino)phenyl]-;
Tris[4-(dimethylamino)phenyl]methylium

In Other Databases

ChEBI CHEBI:77181
Wikipedia Crystal violet
ChemSpider 3349
HMDb HMDB14550
PubChem 3468
ChemIDPlus 014426256; 065294179; 072927787
DrugBank DB00406