[2-[3-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-1-ium-1-yl]ethanoylamino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[3-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-1-ium-1-yl]ethanoylamino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[3-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-1-yl]acetyl]amino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[3-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-1-indol-1-iumyl]-1-oxoethyl]amino]-1-oxopropoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[3-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-1-ium-1-yl]acetyl]amino]propanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[3-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-1-yl]acetyl]amino]propanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C48H74ClN3O11P+ MolecularWeight: 935.541421

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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)C[N+]1(C(=CC2=C1C=CC(=C2)OC)C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCNC(=O)C[N+]1(C(=CC2=C1C=CC(=C2)OC)C)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C48H73ClN3O11P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-46(54)60-36-43(37-62-64(57,58)61-32-31-51(3,4)5)63-47(55)29-30-50-45(53)35-52(48(56)39-23-25-41(49)26-24-39)38(2)33-40-34-42(59-6)27-28-44(40)52/h23-28,33-34,43H,7-22,29-32,35-37H2,1-6H3/p+1