[2-[8-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]octanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[8-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]octanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[8-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]octanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[8-[[2-(2,6-dichloroanilino)-1-oxo-2-phenylethyl]amino]-1-oxooctoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[8-[[2-(2,6-dichloroanilino)-2-phenylacetyl]amino]octanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[8-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]octanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C48H78Cl2N3O9P MolecularWeight: 943.027381

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C48H78Cl2N3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-33-44(54)59-38-41(39-61-63(57,58)60-37-36-53(2,3)4)62-45(55)34-26-20-18-21-27-35-51-48(56)46(40-29-23-22-24-30-40)52-47-42(49)31-28-32-43(47)50/h22-24,28-32,41,46,52H,5-21,25-27,33-39H2,1-4H3,(H-,51,56,57,58)