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

Systemtic Name: [1-[aminocarbonyl-(phenylmethyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[benzyl(carbamoyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[carbamoyl-(phenylmethyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[benzyl(carbamoyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[benzyl(carbamoyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C34H64N3O6P MolecularWeight: 641.862221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H64N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-41-31-33(43-44(39,40)42-28-26-37(2,3)4)30-36(34(35)38)29-32-24-21-20-22-25-32/h20-22,24-25,33H,5-19,23,26-31H2,1-4H3,(H2-,35,38,39,40)