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

Systemtic Name: [1-[(4-chlorophenyl)carbamoyl-hexadecyl-amino]-3-hexadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(4-chlorophenyl)carbamoyl-hexadecyl-amino]methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[(4-chloroanilino)-oxomethyl]-hexadecylamino]-3-hexadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[(4-chlorophenyl)carbamoyl-hexadecylamino]-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[cetyl-[(4-chlorophenyl)carbamoyl]amino]methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C47H89ClN3O6P MolecularWeight: 858.652821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H89ClN3O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38-50(47(52)49-45-36-34-44(48)35-37-45)42-46(57-58(53,54)56-41-39-51(3,4)5)43-55-40-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34-37,46H,6-33,38-43H2,1-5H3,(H-,49,52,53,54)