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CHEBI:52927 - To-Pro-1(2+)

ChEBI IDCHEBI:52927
ChEBI NameTo-Pro-1(2+)
Stars
DefinitionA cationic C1 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents.
Last Modified5 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC24H29N3S
Net Charge+2
Average Mass391.584
Monoisotopic Mass391.20712
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)C)c2ccccc21)c1sc2ccccc2[n+]1C
InChIInChI=1S/C24H29N3S/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21/h5-8,10-14,16,18H,9,15,17H2,1-4H3/q+2
InChIKeyBCTNMRNAMOIDHS-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
To-Pro-1(2+) (CHEBI:52927) has role fluorochrome (CHEBI:51217)
To-Pro-1(2+) (CHEBI:52927) is a benzothiazolium ion (CHEBI:52838)
To-Pro-1(2+) (CHEBI:52927) is a cyanine dye (CHEBI:37960)
To-Pro-1(2+) (CHEBI:52927) is a quinolinium ion (CHEBI:52837)
Incoming Relation(s)
To-Pro-1 (CHEBI:52296) has part To-Pro-1(2+) (CHEBI:52927)
IUPAC Names 
3-methyl-2-({1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}methyl)-1,3-benzothiazol-3-ium
4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]quinolinium
Synonyms  Source
To-Pro-1 cationChEBI
To-Pro-1 dicationChEBI