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CHEBI:88208 - Hoffman's violet(1+)

ChEBI IDCHEBI:88208
ChEBI NameHoffman's violet(1+)
Stars
DefinitionAn organic cation obtained by protonation of the free base form of Hoffman's violet.
Last Modified13 October 2015
SubmitterSteve
DownloadsMolfile
FormulaH.C26H31N3
Net Charge+1
Average Mass386.563
Monoisotopic Mass386.25907
SMILESCCN=C1C=CC(=C(c2ccc(NCC)cc2)c2ccc(NCC)c(C)c2)C=C1.[H+]
InChIInChI=1S/C26H31N3/c1-5-27-23-13-8-20(9-14-23)26(21-10-15-24(16-11-21)28-6-2)22-12-17-25(29-7-3)19(4)18-22/h8-18,27,29H,5-7H2,1-4H3/p+1/b26-21-,28-24+
InChIKeyCNMRNUFFAOLBLH-OBZJKIMVSA-O
ChEBI Ontology
Outgoing Relation(s)
Hoffman's violet(1+) (CHEBI:88208) is a organic cation (CHEBI:25697)
Hoffman's violet(1+) (CHEBI:88208) is conjugate acid of Hoffman's violet free base (CHEBI:88207)
Incoming Relation(s)
Hoffman's violet free base (CHEBI:88207) is conjugate base of Hoffman's violet(1+) (CHEBI:88208)
Synonym  Source
Hoffman's violet cationChEBI