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

Systemtic Name: 2-[[(2S)-3-hexadecylsulfanyl-2-(undecanoylamino)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexadecylsulfanyl-2-(undecanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexadecylthio)-2-(1-oxoundecylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexadecylsulfanyl-2-(undecanoylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-3-(cetylthio)-2-(undecanoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C35H74N2O5PS+ MolecularWeight: 666.011221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H73N2O5PS/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-31-44-33-34(32-42-43(39,40)41-30-29-37(3,4)5)36-35(38)28-26-24-22-15-13-11-9-7-2/h34H,6-33H2,1-5H3,(H-,36,38,39,40)/p+1/t34-/m0/s1