[18-[1-(dodecanoylamino)propoxy]-2-methyl-1-oxidanyl-1,18-bis(oxidanylidene)octadecan-2-yl]-ethyl-dimethyl-azanium

Systemtic Name: [18-[1-(dodecanoylamino)propoxy]-2-methyl-1-oxidanyl-1,18-bis(oxidanylidene)octadecan-2-yl]-ethyl-dimethyl-azanium Openeye Name: [1-carboxy-17-[1-(dodecanoylamino)propoxy]-1-methyl-17-oxo-heptadecyl]-ethyl-dimethyl-ammonium CAS Name: ethyl-[1-hydroxy-2-methyl-1,18-dioxo-18-[1-(1-oxododecylamino)propoxy]octadecan-2-yl]-dimethylammonium IUPAC Name: [18-[1-(dodecanoylamino)propoxy]-1-hydroxy-2-methyl-1,18-dioxooctadecan-2-yl]-ethyl-dimethylazanium Traditional Name: [1-carboxy-17-keto-17-[1-(lauroylamino)propoxy]-1-methyl-heptadecyl]-ethyl-dimethyl-ammonium Formula: C38H75N2O5+ MolecularWeight: 640.0125

Click to see the large picture

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)/p+1