[1-[(4-chlorophenyl)carbamoylamino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[(4-chlorophenyl)carbamoylamino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(4-chlorophenyl)carbamoylamino]methyl]-2-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[(4-chloroanilino)-oxomethyl]amino]-3-eicosoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[(4-chlorophenyl)carbamoylamino]-3-icosoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[(4-chlorophenyl)carbamoylamino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H65ClN3O6P MolecularWeight: 690.333861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H65ClN3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-43-31-34(45-46(41,42)44-29-27-39(2,3)4)30-37-35(40)38-33-25-23-32(36)24-26-33/h23-26,34H,5-22,27-31H2,1-4H3,(H2-,37,38,40,41,42)