1-[2-({(2Z)-3-Cyano-3-[4-(dimethylamino)phenyl]-2-propenoyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 2-ethylhexanoate
[CAS# 94087-17-9]

Identification

• Name: 1-[2-({(2Z)-3-Cyano-3-[4-(dimethylamino)phenyl]-2-propenoyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 2-ethylhexanoate
• Synonyms: 1-[2-[[β-cyano-4-(dimethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium 2-ethylhexanoate
• Molecular Formula: C₂₆H₃₆N₄O₄
• Molecular Weight: 468.59
• CAS Registry Number: 94087-17-9
• EINECS: 301-909-8
• SMILES: C[n+]2(CCOC(=O)/C=C(\C#N)c1ccc(cc1)N(C)C)ccnc2.CCC(CCCC)C([O-])=O
• InChI: 1S/C18H21N4O2.C8H16O2/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;1-3-5-6-7(4-2)8(9)10/h4-9,12,14H,10-11H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1/b16-12+
• InChIKey: WMMYRNVGHNFJLL-CLNHMMGSSA-M