[(2S)-2-acetamido-3-hexylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S)-2-acetamido-3-hexylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-acetamido-3-hexylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-2-acetamido-3-(hexylthio)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-acetamido-3-hexylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-acetamido-3-(hexylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C16H35N2O5PS MolecularWeight: 398.498261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCSC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C

InChI

InChI=1S/C16H35N2O5PS/c1-6-7-8-9-12-25-14-16(17-15(2)19)13-23-24(20,21)22-11-10-18(3,4)5/h16H,6-14H2,1-5H3,(H-,17,19,20,21)/t16-/m0/s1