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

Systemtic Name: [1-[aminocarbonyl-(phenylmethyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[benzyl(carbamoyl)amino]methyl]-2-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[carbamoyl-(phenylmethyl)amino]-3-eicosoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[benzyl(carbamoyl)amino]-3-icosoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[benzyl(carbamoyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C36H68N3O6P MolecularWeight: 669.915381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CN(CC1=CC=CC=C1)C(=O)N)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CN(CC1=CC=CC=C1)C(=O)N)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C36H68N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-43-33-35(45-46(41,42)44-30-28-39(2,3)4)32-38(36(37)40)31-34-26-23-22-24-27-34/h22-24,26-27,35H,5-21,25,28-33H2,1-4H3,(H2-,37,40,41,42)