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CHEBI:88012 - ethyl violet cation

Default Structure
ChEBI IDCHEBI:88012
ChEBI Nameethyl violet cation
Stars
DefinitionAn iminium ion that is the cationic component of the histological dye 'ethyl violet'.
Last Modified24 September 2015
SubmitterSteve
DownloadsMolfile
FormulaC31H42N3
Net Charge+1
Average Mass456.698
Monoisotopic Mass456.33732
SMILESCCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C31H42N3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24H,7-12H2,1-6H3/q+1
InChIKeyVYYRJGKHDDYUGK-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
ethyl violet cation (CHEBI:88012) has role fluorochrome (CHEBI:51217)
ethyl violet cation (CHEBI:88012) has role histological dye (CHEBI:77178)
ethyl violet cation (CHEBI:88012) is a iminium ion (CHEBI:35286)
Incoming Relation(s)
ethyl violet (CHEBI:88010) has part ethyl violet cation (CHEBI:88012)
IUPAC Name 
4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium
Synonyms  Source
ethyl violet(1+)ChEBI
ethyl violet carbocationChEBI
Registry NumbersSources
Reaxys:3915490Reaxys