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

Systemtic Name: 2-[[(2S)-3-hexylsulfanyl-2-(propanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexylsulfanyl-2-(propanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexylthio)-2-(1-oxopropylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexylsulfanyl-2-(propanoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-3-(hexylthio)-2-propionamido-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C17H38N2O5PS+ MolecularWeight: 413.532781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H37N2O5PS/c1-6-8-9-10-13-26-15-16(18-17(20)7-2)14-24-25(21,22)23-12-11-19(3,4)5/h16H,6-15H2,1-5H3,(H-,18,20,21,22)/p+1/t16-/m0/s1