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

Systemtic Name: 2-[[(2S)-3-hexylsulfanyl-2-(octanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexylsulfanyl-2-(octanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexylthio)-2-(1-oxooctylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexylsulfanyl-2-(octanoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2-(caprylylamino)-3-(hexylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C22H48N2O5PS+ MolecularWeight: 483.665681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H47N2O5PS/c1-6-8-10-12-13-15-22(25)23-21(20-31-18-14-11-9-7-2)19-29-30(26,27)28-17-16-24(3,4)5/h21H,6-20H2,1-5H3,(H-,23,25,26,27)/p+1/t21-/m0/s1