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CHEBI:52870 - malachite green isothiocyanate cation

ChEBI IDCHEBI:52870
ChEBI Namemalachite green isothiocyanate cation
Stars
DefinitionThe iminium cation of malachite green isothiocyanate.
Last Modified31 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC24H24N3S
Net Charge+1
Average Mass386.544
Monoisotopic Mass386.16855
SMILESCN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N=C=S)cc2)cc1
InChIInChI=1S/C24H24N3S/c1-26(2)22-13-7-19(8-14-22)24(18-5-11-21(12-6-18)25-17-28)20-9-15-23(16-10-20)27(3)4/h5-16H,1-4H3/q+1
InChIKeyWAGQVEJKLAIRPI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
malachite green isothiocyanate cation (CHEBI:52870) has role fluorochrome (CHEBI:51217)
malachite green isothiocyanate cation (CHEBI:52870) is a iminium ion (CHEBI:35286)
malachite green isothiocyanate cation (CHEBI:52870) is a tertiary amine (CHEBI:32876)
Incoming Relation(s)
malachite green isothiocyanate (CHEBI:52122) has part malachite green isothiocyanate cation (CHEBI:52870)
IUPAC Name 
N-(4-{[4-(dimethylamino)phenyl](4-isothiocyanatophenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium
Synonym  Source
malachite green isothiocyanate(1+)ChEBI
Registry NumbersSources
Beilstein:6938342Beilstein