2-[[3-(decanoylamino)-2-octoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-(decanoylamino)-2-octoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-(decanoylamino)-2-octoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-octoxy-3-(1-oxodecylamino)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-(decanoylamino)-2-octoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(caprylamino)-2-octoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C26H56N2O6P+ MolecularWeight: 523.706401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCC

InChI

InChI=1S/C26H55N2O6P/c1-6-8-10-12-14-15-17-19-26(29)27-23-25(32-21-18-16-13-11-9-7-2)24-34-35(30,31)33-22-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)/p+1