1-[2-({(2Z)-3-Cyano-3-[4-(dimethylamino)phenyl]-2-propenoyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 4-methylbenzenesulfonate
[CAS# 94087-16-8]

Identification

• Name: 1-[2-({(2Z)-3-Cyano-3-[4-(dimethylamino)phenyl]-2-propenoyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 4-methylbenzenesulfonate
• Synonyms: 1-[2-[[β-cyano-4-(dimethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate
• Molecular Formula: C₂₅H₂₈N₄O₅S
• Molecular Weight: 496.58
• CAS Registry Number: 94087-16-8
• EINECS: 301-908-2
• SMILES: C[n+]2(CCOC(=O)/C=C(\C#N)c1ccc(cc1)N(C)C)ccnc2.[O-]S(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C18H21N4O2.C7H8O3S/c1-21(2)17-6-4-15(5-7-17)16(13-19)12-18(23)24-11-10-22(3)9-8-20-14-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,12,14H,10-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b16-12+
• InChIKey: ZUESHFKQWIFBSO-CLNHMMGSSA-M