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

Systemtic Name: 2-[[(2S)-2-(heptanoylamino)-3-hexylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-2-(heptanoylamino)-3-hexylsulfanyl-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexylthio)-2-(1-oxoheptylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-2-(heptanoylamino)-3-hexylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2-(enanthylamino)-3-(hexylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C21H46N2O5PS+ MolecularWeight: 469.639101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45N2O5PS/c1-6-8-10-12-14-21(24)22-20(19-30-17-13-11-9-7-2)18-28-29(25,26)27-16-15-23(3,4)5/h20H,6-19H2,1-5H3,(H-,22,24,25,26)/p+1/t20-/m0/s1