2-[[(2S)-3-hexadecylsulfanyl-2-[[(Z)-icos-11-enoyl]amino]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-3-hexadecylsulfanyl-2-[[(Z)-icos-11-enoyl]amino]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexadecylsulfanyl-2-[[(Z)-icos-11-enoyl]amino]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexadecylthio)-2-[[(Z)-1-oxoeicos-11-enyl]amino]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexadecylsulfanyl-2-[[(Z)-icos-11-enoyl]amino]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-3-(cetylthio)-2-[[(Z)-eicos-11-enoyl]amino]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H90N2O5PS+ MolecularWeight: 790.234561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCSC[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C44H89N2O5PS/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(47)45-43(41-51-52(48,49)50-39-38-46(3,4)5)42-53-40-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,43H,6-19,21,23-42H2,1-5H3,(H-,45,47,48,49)/p+1/b22-20-/t43-/m0/s1