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

Systemtic Name: [1-[(4-chlorophenyl)carbamoylamino]-3-hexadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(4-chlorophenyl)carbamoylamino]methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[(4-chloroanilino)-oxomethyl]amino]-3-hexadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[(4-chlorophenyl)carbamoylamino]-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(cetyloxymethyl)-2-[(4-chlorophenyl)carbamoylamino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C31H57ClN3O6P MolecularWeight: 634.227541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57ClN3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-39-27-30(41-42(37,38)40-25-23-35(2,3)4)26-33-31(36)34-29-21-19-28(32)20-22-29/h19-22,30H,5-18,23-27H2,1-4H3,(H2-,33,34,36,37,38)