18-[1-(dodecanoylamino)propoxy]-2-[ethyl(dimethyl)azaniumyl]-2-methyl-18-oxidanylidene-octadecanoate

Systemtic Name: 18-[1-(dodecanoylamino)propoxy]-2-[ethyl(dimethyl)azaniumyl]-2-methyl-18-oxidanylidene-octadecanoate Openeye Name: 18-[1-(dodecanoylamino)propoxy]-2-[ethyl(dimethyl)ammonio]-2-methyl-18-oxo-octadecanoate CAS Name: 2-[ethyl(dimethyl)ammonio]-2-methyl-18-oxo-18-[1-(1-oxododecylamino)propoxy]octadecanoate IUPAC Name: 18-[1-(dodecanoylamino)propoxy]-2-[ethyl(dimethyl)azaniumyl]-2-methyl-18-oxooctadecanoate Traditional Name: 2-[ethyl(dimethyl)ammonio]-18-keto-18-[1-(lauroylamino)propoxy]-2-methyl-stearate Formula: C38H74N2O5 MolecularWeight: 639.00456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC)OC(=O)CCCCCCCCCCCCCCCC(C)(C(=O)[O-])[N+](C)(C)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CC)OC(=O)CCCCCCCCCCCCCCCC(C)(C(=O)[O-])[N+](C)(C)CC

InChI

InChI=1S/C38H74N2O5/c1-7-10-11-12-13-19-22-25-28-31-34(41)39-35(8-2)45-36(42)32-29-26-23-20-17-15-14-16-18-21-24-27-30-33-38(4,37(43)44)40(5,6)9-3/h35H,7-33H2,1-6H3,(H-,39,41,43,44)