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CHEBI:52804 - C3-indocyanine cation

ChEBI IDCHEBI:52804
ChEBI NameC3-indocyanine cation
Stars
DefinitionThe cationic form of a C3 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC27H33N2
Net Charge+1
Average Mass385.575
Monoisotopic Mass385.26383
SMILES[H]C(=C([H])C1=[N+](CC)c2ccccc2C1(C)C)C([H])=C1N(CC)c2ccccc2C1(C)C
InChIInChI=1S/C27H33N2/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2/h9-19H,7-8H2,1-6H3/q+1
InChIKeyPUIDNHIQNRMZGS-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C3-indocyanine cation (CHEBI:52804) has role fluorochrome (CHEBI:51217)
C3-indocyanine cation (CHEBI:52804) is a cyanine dye (CHEBI:37960)
C3-indocyanine cation (CHEBI:52804) is a indolium ion (CHEBI:52840)
Incoming Relation(s)
C3-indocyanine (CHEBI:52694) has part C3-indocyanine cation (CHEBI:52804)
IUPAC Name 
1-ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indolium