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CHEBI:52786 - cryptocyanin cation

ChEBI IDCHEBI:52786
ChEBI Namecryptocyanin cation
Stars
DefinitionA cationic C3-cyanine type compound with 1-ethylquinolin-4-yl groups at both ends.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC25H25N2
Net Charge+1
Average Mass353.489
Monoisotopic Mass353.20123
SMILES[H]C(C([H])=C([H])c1cc[n+](CC)c2ccccc12)=C1C=CN(CC)c2ccccc21
InChIInChI=1S/C25H25N2/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25/h5-19H,3-4H2,1-2H3/q+1
InChIKeyTVRUNVZRBXNONE-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
cryptocyanin cation (CHEBI:52786) has role fluorochrome (CHEBI:51217)
cryptocyanin cation (CHEBI:52786) is a quinolines (CHEBI:26513)
cryptocyanin cation (CHEBI:52786) is a quinolinium ion (CHEBI:52837)
Incoming Relation(s)
cryptocyanin (CHEBI:51502) has part cryptocyanin cation (CHEBI:52786)
IUPAC Name 
1-ethyl-4-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium