[2-[2-[2-[3-methyl-4-(2-methylpropyl)phenyl]ethanoylamino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[2-[2-[3-methyl-4-(2-methylpropyl)phenyl]ethanoylamino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[2-[[2-(4-isobutyl-3-methyl-phenyl)acetyl]amino]propanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[2-[[2-[3-methyl-4-(2-methylpropyl)phenyl]-1-oxoethyl]amino]-1-oxopropoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[2-[[2-[3-methyl-4-(2-methylpropyl)phenyl]acetyl]amino]propanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[2-[[2-(4-isobutyl-3-methyl-phenyl)acetyl]amino]propanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H75N2O9P MolecularWeight: 783.026661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C(C)NC(=O)CC1=CC(=C(C=C1)CC(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C(C)NC(=O)CC1=CC(=C(C=C1)CC(C)C)C

InChI

InChI=1S/C42H75N2O9P/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41(46)50-32-39(33-52-54(48,49)51-28-27-44(6,7)8)53-42(47)36(5)43-40(45)31-37-25-26-38(29-34(2)3)35(4)30-37/h25-26,30,34,36,39H,9-24,27-29,31-33H2,1-8H3,(H-,43,45,48,49)