[2-[5-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]pentanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[5-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]pentanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[5-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]pentanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[5-[[2-(2,6-dichloroanilino)-1-oxo-2-phenylethyl]amino]-1-oxopentoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[5-[[2-(2,6-dichloroanilino)-2-phenylacetyl]amino]pentanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[5-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]pentanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C45H72Cl2N3O9P MolecularWeight: 900.947641

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C45H72Cl2N3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-30-41(51)56-35-38(36-58-60(54,55)57-34-33-50(2,3)4)59-42(52)31-23-24-32-48-45(53)43(37-26-20-19-21-27-37)49-44-39(46)28-25-29-40(44)47/h19-21,25-29,38,43,49H,5-18,22-24,30-36H2,1-4H3,(H-,48,53,54,55)