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

Systemtic Name: 2-[[(2S)-3-hexylsulfanyl-2-(nonanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexylsulfanyl-2-(nonanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexylthio)-2-(1-oxononylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexylsulfanyl-2-(nonanoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-3-(hexylthio)-2-(pelargonylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C23H50N2O5PS+ MolecularWeight: 497.692261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H49N2O5PS/c1-6-8-10-12-13-14-16-23(26)24-22(21-32-19-15-11-9-7-2)20-30-31(27,28)29-18-17-25(3,4)5/h22H,6-21H2,1-5H3,(H-,24,26,27,28)/p+1/t22-/m0/s1