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

Systemtic Name: 2-[[(2S)-3-hexadecylsulfanyl-2-(octanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexadecylsulfanyl-2-(octanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexadecylthio)-2-(1-oxooctylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexadecylsulfanyl-2-(octanoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2-(caprylylamino)-3-(cetylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C32H68N2O5PS+ MolecularWeight: 623.931481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H67N2O5PS/c1-6-8-10-12-13-14-15-16-17-18-19-20-22-24-28-41-30-31(33-32(35)25-23-21-11-9-7-2)29-39-40(36,37)38-27-26-34(3,4)5/h31H,6-30H2,1-5H3,(H-,33,35,36,37)/p+1/t31-/m0/s1