[2-[6-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-1-ium-1-yl]ethanoylamino]hexanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[6-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-1-ium-1-yl]ethanoylamino]hexanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[6-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-1-yl]acetyl]amino]hexanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[6-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-1-indol-1-iumyl]-1-oxoethyl]amino]-1-oxohexoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[6-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-1-ium-1-yl]acetyl]amino]hexanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[6-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-1-yl]acetyl]amino]hexanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C51H80ClN3O11P+ MolecularWeight: 977.621161

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

InChI

InChI=1S/C51H79ClN3O11P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-49(57)63-39-46(40-65-67(60,61)64-35-34-54(3,4)5)66-50(58)26-23-21-24-33-53-48(56)38-55(51(59)42-27-29-44(52)30-28-42)41(2)36-43-37-45(62-6)31-32-47(43)55/h27-32,36-37,46H,7-26,33-35,38-40H2,1-6H3/p+1