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

Systemtic Name: 2-[[3-hexadecylsulfanyl-2-(methoxymethyl)-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-hexadecylsulfanyl-3-hydroxy-2-(methoxymethyl)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(hexadecylthio)-3-hydroxy-2-(methoxymethyl)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-hexadecylsulfanyl-3-hydroxy-2-(methoxymethyl)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(cetylthio)-3-hydroxy-2-(methoxymethyl)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C26H57NO6PS+ MolecularWeight: 542.772641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C(COC)COP(=O)(O)OCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C(COC)COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C26H56NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-26(28)25(23-31-5)24-33-34(29,30)32-21-20-27(2,3)4/h25-26,28H,6-24H2,1-5H3/p+1