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

Systemtic Name: [1-[(4-chlorophenyl)carbamoylamino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(4-chlorophenyl)carbamoylamino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[(4-chloroanilino)-oxomethyl]amino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[(4-chlorophenyl)carbamoylamino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[(4-chlorophenyl)carbamoylamino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H61ClN3O6P MolecularWeight: 662.280701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61ClN3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-41-29-32(43-44(39,40)42-27-25-37(2,3)4)28-35-33(38)36-31-23-21-30(34)22-24-31/h21-24,32H,5-20,25-29H2,1-4H3,(H2-,35,36,38,39,40)