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

Systemtic Name: [(2S)-2-(decanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-(decanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxodecylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-(decanoylamino)-3-hexylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-(caprylamino)-3-(hexylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C24H51N2O5PS MolecularWeight: 510.710901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)CSCCCCCC

InChI

InChI=1S/C24H51N2O5PS/c1-6-8-10-12-13-14-15-17-24(27)25-23(22-33-20-16-11-9-7-2)21-31-32(28,29)30-19-18-26(3,4)5/h23H,6-22H2,1-5H3,(H-,25,27,28,29)/t23-/m0/s1