[2-[4-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]butanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[4-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]butanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[4-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]butanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[4-[[2-(2,6-dichloroanilino)-1-oxo-2-phenylethyl]amino]-1-oxobutoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[4-[[2-(2,6-dichloroanilino)-2-phenylacetyl]amino]butanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[4-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]butanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H70Cl2N3O9P MolecularWeight: 886.921061

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C44H70Cl2N3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-40(50)55-34-37(35-57-59(53,54)56-33-32-49(2,3)4)58-41(51)30-24-31-47-44(52)42(36-25-20-19-21-26-36)48-43-38(45)27-23-28-39(43)46/h19-21,23,25-28,37,42,48H,5-18,22,24,29-35H2,1-4H3,(H-,47,52,53,54)