1-[2-({(2Z)-3-Cyano-3-[4-(diethylamino)phenyl]-2-propenoyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 4-methylbenzenesulfonate
[CAS# 94087-12-4]

Identification

• Name: 1-[2-({(2Z)-3-Cyano-3-[4-(diethylamino)phenyl]-2-propenoyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 4-methylbenzenesulfonate
• Synonyms: 1-[2-[[β-cyano-4-(diethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate
• Molecular Formula: C₂₇H₃₂N₄O₅S
• Molecular Weight: 524.63
• CAS Registry Number: 94087-12-4
• EINECS: 301-905-6
• SMILES: C[n+]2(CCOC(=O)/C=C(\C#N)c1ccc(cc1)N(CC)CC)ccnc2.[O-]S(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C20H25N4O2.C7H8O3S/c1-4-23(5-2)19-8-6-17(7-9-19)18(15-21)14-20(25)26-13-12-24(3)11-10-22-16-24;1-6-2-4-7(5-3-6)11(8,9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b18-14+
• InChIKey: WDUGHFIWKOUANY-LSJACRKWSA-M