[1-[aminocarbonyl(hexadecyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[aminocarbonyl(hexadecyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[carbamoyl(hexadecyl)amino]methyl]-2-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[carbamoyl(hexadecyl)amino]-3-eicosoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[carbamoyl(hexadecyl)amino]-3-icosoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[carbamoyl(cetyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C45H94N3O6P MolecularWeight: 804.218121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)N)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)N)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C45H94N3O6P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-40-52-43-44(54-55(50,51)53-41-39-48(3,4)5)42-47(45(46)49)38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3,(H2-,46,49,50,51)