[2-(4-ethoxy-4-oxidanylidene-butanoyl)oxy-1-[hexadecyl(dimethyl)azaniumyl]ethyl]-hexadecyl-dimethyl-azanium

Systemtic Name: [2-(4-ethoxy-4-oxidanylidene-butanoyl)oxy-1-[hexadecyl(dimethyl)azaniumyl]ethyl]-hexadecyl-dimethyl-azanium Openeye Name: [2-(4-ethoxy-4-oxo-butanoyl)oxy-1-[hexadecyl(dimethyl)ammonio]ethyl]-hexadecyl-dimethyl-ammonium CAS Name: [2-(4-ethoxy-1,4-dioxobutoxy)-1-[hexadecyl(dimethyl)ammonio]ethyl]-hexadecyl-dimethylammonium IUPAC Name: [2-(4-ethoxy-4-oxobutanoyl)oxy-1-[hexadecyl(dimethyl)azaniumyl]ethyl]-hexadecyl-dimethylazanium Traditional Name: cetyl-[1-[cetyl(dimethyl)ammonio]-2-(4-ethoxy-4-keto-butanoyl)oxy-ethyl]-dimethyl-ammonium Formula: C44H90N2O4+2 MolecularWeight: 711.1964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(COC(=O)CCC(=O)OCC)[N+](C)(C)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(COC(=O)CCC(=O)OCC)[N+](C)(C)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H90N2O4/c1-8-11-13-15-17-19-21-23-25-27-29-31-33-35-39-45(4,5)42(41-50-44(48)38-37-43(47)49-10-3)46(6,7)40-36-34-32-30-28-26-24-22-20-18-16-14-12-9-2/h42H,8-41H2,1-7H3/q+2