2-[2-[4-[(2-Chloroethyl)Methylamino]Phenyl]Vinyl]-1,3,3-Trimethyl-3H-Indolium Methyl Sulphate
[CAS# 85204-55-3]

Identification

• Name: 2-[2-[4-[(2-Chloroethyl)Methylamino]Phenyl]Vinyl]-1,3,3-Trimethyl-3H-Indolium Methyl Sulphate
• Synonyms: N-(3-Chloropropyl)-4-[(E)-2-(1,3,3-Trimethylindol-1-Ium-2-Yl)Vinyl]Aniline; Methyl Sulfate; N-(3-Chloropropyl)-4-[(E)-2-(1,3,3-Trimethyl-2-Indol-1-Iumyl)Vinyl]Aniline; Methyl Sulfate; 3-Chloropropyl-[4-[(E)-2-(1,3,3-Trimethylindol-1-Ium-2-Yl)Vinyl]Phenyl]Amine; Methyl Sulfate
• Molecular Formula: C₂₃H₂₉ClN₂O₄S
• Molecular Weight: 465.01
• CAS Registry Number: 85204-55-3
• EINECS: 286-342-3
• SMILES: C2=C1C(C(=[N+](C1=CC=C2)C)C=CC3=CC=C(NCCCCl)C=C3)(C)C.CO[S]([O-])(=O)=O
• InChI: 1S/C22H25ClN2.CH4O4S/c1-22(2)19-7-4-5-8-20(19)25(3)21(22)14-11-17-9-12-18(13-10-17)24-16-6-15-23;1-5-6(2,3)4/h4-5,7-14H,6,15-16H2,1-3H3;1H3,(H,2,3,4)
• InChIKey: HICLULDROTVKCE-UHFFFAOYSA-N