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

Systemtic Name: [(2S)-2-(butanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-(butanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxobutylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-(butanoylamino)-3-hexylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-butyramido-3-(hexylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C18H39N2O5PS MolecularWeight: 426.551421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H39N2O5PS/c1-6-8-9-10-14-27-16-17(19-18(21)11-7-2)15-25-26(22,23)24-13-12-20(3,4)5/h17H,6-16H2,1-5H3,(H-,19,21,22,23)/t17-/m0/s1