1-[2-[(2-Cyanoethyl)(1-Oxodocosyl)Amino]Ethyl]-1-Ethyl-2-Henicosyl-4,5-Dihydro-1H-Imidazolium Ethyl Sulphate
[CAS# 67874-14-0]

Identification

• Name: 1-[2-[(2-Cyanoethyl)(1-Oxodocosyl)Amino]Ethyl]-1-Ethyl-2-Henicosyl-4,5-Dihydro-1H-Imidazolium Ethyl Sulphate
• Synonyms: N-(2-Cyanoethyl)-N-[2-(1-Ethyl-2-Henicosyl-4,5-Dihydroimidazol-1-Ium-1-Yl)Ethyl]Behenamide; Ethyl Sulfate; 1H-Imidazolium, 1-(2-((2-Cyanoethyl)(1-Oxodocosyl)Amino)Ethyl)-1-Ethyl-2-Heneicosyl-4,5-Dihydro-, Ethyl Sulfate
• Molecular Formula: C₅₅H₁₀₈N₄O₅S
• Molecular Weight: 937.54
• CAS Registry Number: 67874-14-0
• EINECS: 267-455-7
• SMILES: C(O[S]([O-])(=O)=O)C.C([N+]1(C(=NCC1)CCCCCCCCCCCCCCCCCCCCC)CC)CN(C(=O)CCCCCCCCCCCCCCCCCCCCC)CCC#N
• InChI: 1S/C53H103N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-52-55-47-50-57(52,6-3)51-49-56(48-43-46-54)53(58)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-45,47-51H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
• InChIKey: LTIHTLLUEAQLBY-UHFFFAOYSA-M