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

Systemtic Name: 2-[[(2S)-2-acetamido-3-hexylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-hexylsulfanyl-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-(hexylthio)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-hexylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-(hexylthio)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C16H36N2O5PS+ MolecularWeight: 399.506201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H35N2O5PS/c1-6-7-8-9-12-25-14-16(17-15(2)19)13-23-24(20,21)22-11-10-18(3,4)5/h16H,6-14H2,1-5H3,(H-,17,19,20,21)/p+1/t16-/m0/s1