2-[2-[1-(2-Cyanoethyl)-2-Phenyl-1H-Indol-3-Yl]Vinyl]-1,3,3-Trimethyl-3H-Pyrrolo[2,3-b]Pyridinium Toluene-p-Sulphonate
[CAS# 63665-91-8]

Identification

• Name: 2-[2-[1-(2-Cyanoethyl)-2-Phenyl-1H-Indol-3-Yl]Vinyl]-1,3,3-Trimethyl-3H-Pyrrolo[2,3-b]Pyridinium Toluene-p-Sulphonate
• Synonyms: 4-Methylbenzenesulfonate; 3-[2-Phenyl-3-[2-(1,3,3-Trimethyl-2-Pyrrolo[5,4-B]Pyridinylidene)Ethylidene]-1-Indol-1-Iumyl]Propanenitrile; 4-Methylbenzenesulfonate; 3-[2-Phenyl-3-[2-(1,3,3-Trimethylpyrrolo[5,4-B]Pyridin-2-Ylidene)Ethylidene]Indol-1-Ium-1-Yl]Propionitrile; 2-(2-(1-(2-Cyanoethyl)-2-Phenyl-1H-Indol-3-Yl)Vinyl)-1,3,3-Trimethyl-3H-Pyrrolo(2,3-B)Pyridinium Toluene-P-Sulphonate
• Molecular Formula: C₃₆H₃₄N₄O₃S
• Molecular Weight: 602.75
• CAS Registry Number: 63665-91-8
• EINECS: 264-397-4
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1)C.C2=CC=NC3=C2C(C(=[N+]3C)C=CC4=C([N](C5=CC=CC=C45)CCC#N)C6=CC=CC=C6)(C)C
• InChI: 1S/C29H27N4.C7H8O3S/c1-29(2)24-14-9-19-31-28(24)32(3)26(29)17-16-23-22-13-7-8-15-25(22)33(20-10-18-30)27(23)21-11-5-4-6-12-21;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11-17,19H,10,20H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: PBBNOYLMQQNWNI-UHFFFAOYSA-M