[2-[3-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[3-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[3-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[3-[[2-(2,6-dichloroanilino)-1-oxo-2-phenylethyl]amino]-1-oxopropoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[3-[[2-(2,6-dichloroanilino)-2-phenylacetyl]amino]propanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[3-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]propanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C43H68Cl2N3O9P MolecularWeight: 872.894481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCNC(=O)C(C1=CC=CC=C1)NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCNC(=O)C(C1=CC=CC=C1)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C43H68Cl2N3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-39(49)54-33-36(34-56-58(52,53)55-32-31-48(2,3)4)57-40(50)29-30-46-43(51)41(35-24-20-19-21-25-35)47-42-37(44)26-23-27-38(42)45/h19-21,23-27,36,41,47H,5-18,22,28-34H2,1-4H3,(H-,46,51,52,53)