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CHEBI:52864 - exciton(1+)

ChEBI IDCHEBI:52864
ChEBI Nameexciton(1+)
Stars
DefinitionA cationic C3 cyanine-type compound with 4-(dimethylamino)phenyl and 3-ethyl-1,3-benzothiazolium groups at either end.
Last Modified29 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC21H23N2S
Net Charge+1
Average Mass335.496
Monoisotopic Mass335.15765
SMILES[H]C(=Cc1sc2ccccc2[n+]1CC)C=C([H])c1ccc(N(C)C)cc1
InChIInChI=1S/C21H23N2S/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3/h5-16H,4H2,1-3H3/q+1
InChIKeyNRPYYACQUPIKLE-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)
exciton(1+) (CHEBI:52864) has role fluorochrome (CHEBI:51217)
exciton(1+) (CHEBI:52864) is a benzothiazolium ion (CHEBI:52838)
exciton(1+) (CHEBI:52864) is a tertiary amine (CHEBI:32876)
Incoming Relation(s)
exciton (CHEBI:52099) has part exciton(1+) (CHEBI:52864)
IUPAC Name 
2-{4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-3-ethyl-1,3-benzothiazol-3-ium
Synonym  Source
exciton cationChEBI