trimethyl-[2-[[(2R)-2-octadecanoyloxy-3-(2-tetradecylhexadecoxy)propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[(2R)-2-octadecanoyloxy-3-(2-tetradecylhexadecoxy)propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[(2R)-2-octadecanoyloxy-3-(2-tetradecylhexadecoxy)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-(1-oxooctadecoxy)-3-(2-tetradecylhexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2R)-2-octadecanoyloxy-3-(2-tetradecylhexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(2R)-3-(2-myristylhexadecoxy)-2-stearoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C56H115NO7P+ MolecularWeight: 945.488561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COCC(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C56H114NO7P/c1-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-56(58)64-55(53-63-65(59,60)62-50-49-57(4,5)6)52-61-51-54(46-43-40-37-34-31-26-23-20-17-14-11-8-2)47-44-41-38-35-32-27-24-21-18-15-12-9-3/h54-55H,7-53H2,1-6H3/p+1/t55-/m1/s1