2-[[(2S)-2-(decanoylamino)-3-hexylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-2-(decanoylamino)-3-hexylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-2-(decanoylamino)-3-hexylsulfanyl-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexylthio)-2-(1-oxodecylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-2-(decanoylamino)-3-hexylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2-(caprylamino)-3-(hexylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C24H52N2O5PS+ MolecularWeight: 511.718841

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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)/p+1/t23-/m0/s1