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

Systemtic Name: [2-[3-[2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoylamino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[3-[[2-[2-(2,6-dichloroanilino)phenyl]-1-oxoethyl]amino]-1-oxopropoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]propanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[3-[[2-[2-(2,6-dichloroanilino)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)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCNC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C43H68Cl2N3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-41(50)54-33-36(34-56-58(52,53)55-31-30-48(2,3)4)57-42(51)28-29-46-40(49)32-35-23-20-21-26-39(35)47-43-37(44)24-22-25-38(43)45/h20-26,36,47H,5-19,27-34H2,1-4H3,(H-,46,49,52,53)