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

Systemtic Name: [2-[6-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]hexanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[6-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]hexanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[6-[[2-(2,6-dichloroanilino)-1-oxo-2-phenylethyl]amino]-1-oxohexoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[6-[[2-(2,6-dichloroanilino)-2-phenylacetyl]amino]hexanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[6-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]hexanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C46H74Cl2N3O9P MolecularWeight: 914.974221

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C46H74Cl2N3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-42(52)57-36-39(37-59-61(55,56)58-35-34-51(2,3)4)60-43(53)32-24-20-25-33-49-46(54)44(38-27-21-19-22-28-38)50-45-40(47)29-26-30-41(45)48/h19,21-22,26-30,39,44,50H,5-18,20,23-25,31-37H2,1-4H3,(H-,49,54,55,56)