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

Systemtic Name: 2-[[3-(icosanoylamino)-2-propoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-[3-(icosanoylamino)-2-propoxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxoeicosylamino)-2-propoxypropoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[3-(icosanoylamino)-2-propoxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(eicosanoylamino)-2-propoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H66N2O6P+ MolecularWeight: 593.839301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCC

InChI

InChI=1S/C31H65N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(34)32-28-30(37-26-7-2)29-39-40(35,36)38-27-25-33(3,4)5/h30H,6-29H2,1-5H3,(H-,32,34,35,36)/p+1