1-[2-({(2Z)-2-Cyano-3-[4-(diethylamino)phenyl]-2-propenoyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 2-ethylhexanoate
[CAS# 94087-13-5]

Identification

• Name: 1-[2-({(2Z)-2-Cyano-3-[4-(diethylamino)phenyl]-2-propenoyl}oxy)ethyl]-1-methyl-1H-imidazol-1-ium 2-ethylhexanoate
• Synonyms: 1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]acryloyl]oxy]ethyl]-1-methyl-1H-imidazolium 2-ethylhexanoate
• Molecular Formula: C₂₈H₄₀N₄O₄
• Molecular Weight: 496.64
• CAS Registry Number: 94087-13-5
• EINECS: 301-906-1
• SMILES: C[n+]2(CCOC(=O)C(/C#N)=C\c1ccc(cc1)N(CC)CC)ccnc2.CCC(CCCC)C([O-])=O
• InChI: 1S/C20H25N4O2.C8H16O2/c1-4-23(5-2)19-8-6-17(7-9-19)14-18(15-21)20(25)26-13-12-24(3)11-10-22-16-24;1-3-5-6-7(4-2)8(9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1/b18-14-
• InChIKey: MZGVPGWUOCLKRY-NYAKATHWSA-M