5-Chloro-2-[2-[4-[(2-Cyanoethyl)Methylamino]Phenyl]Vinyl]-1,3,3-Trimethyl-3H-Indolium Methyl Sulphate
[CAS# 71873-57-9]

Identification

• Name: 5-Chloro-2-[2-[4-[(2-Cyanoethyl)Methylamino]Phenyl]Vinyl]-1,3,3-Trimethyl-3H-Indolium Methyl Sulphate
• Synonyms: 3-[[4-[(E)-2-(5-Chloro-1,3,3-Trimethyl-Indol-1-Ium-2-Yl)Vinyl]Phenyl]-Methyl-Amino]Propanenitrile; Methyl Sulfate; 3-[[4-[(E)-2-(5-Chloro-1,3,3-Trimethyl-2-Indol-1-Iumyl)Vinyl]Phenyl]-Methylamino]Propanenitrile; Methyl Sulfate; 3-[[4-[(E)-2-(5-Chloro-1,3,3-Trimethyl-Indol-1-Ium-2-Yl)Vinyl]Phenyl]-Methyl-Amino]Propionitrile; Methyl Sulfate
• Molecular Formula: C₂₄H₂₈ClN₃O₄S
• Molecular Weight: 490.02
• CAS Registry Number: 71873-57-9
• EINECS: 276-130-9
• SMILES: C1=C(C=CC2=C1C(C(=[N+]2C)C=CC3=CC=C(C=C3)N(C)CCC#N)(C)C)Cl.CO[S](=O)(=O)[O-]
• InChI: 1S/C23H25ClN3.CH4O4S/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;1-5-6(2,3)4/h6-13,16H,5,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: IWNXFZCGTNCPPU-UHFFFAOYSA-M