(2-acetamido-3-octadecylsulfanyl-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (2-acetamido-3-octadecylsulfanyl-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-acetamido-3-octadecylsulfanyl-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [2-acetamido-3-(octadecylthio)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-acetamido-3-octadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-acetamido-3-(stearylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C28H59N2O5PS MolecularWeight: 566.817221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C

InChI

InChI=1S/C28H59N2O5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-26-28(29-27(2)31)25-35-36(32,33)34-23-22-30(3,4)5/h28H,6-26H2,1-5H3,(H-,29,31,32,33)