[1-icosoxy-3-(phenylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-icosoxy-3-(phenylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(icosoxymethyl)-2-(phenylcarbamoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[anilino(oxo)methyl]amino]-3-eicosoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-icosoxy-3-(phenylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-(phenylcarbamoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H66N3O6P MolecularWeight: 655.888801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CNC(=O)NC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CNC(=O)NC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C35H66N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-42-32-34(44-45(40,41)43-30-28-38(2,3)4)31-36-35(39)37-33-26-23-22-24-27-33/h22-24,26-27,34H,5-21,25,28-32H2,1-4H3,(H2-,36,37,39,40,41)