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

Systemtic Name: 2-[[(2S)-2-(hexanoylamino)-3-hexylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-2-(hexanoylamino)-3-hexylsulfanyl-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexylthio)-2-(1-oxohexylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-2-(hexanoylamino)-3-hexylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2-(caproylamino)-3-(hexylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C20H44N2O5PS+ MolecularWeight: 455.612521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H43N2O5PS/c1-6-8-10-12-16-29-18-19(21-20(23)13-11-9-7-2)17-27-28(24,25)26-15-14-22(3,4)5/h19H,6-18H2,1-5H3,(H-,21,23,24,25)/p+1/t19-/m0/s1