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

Systemtic Name: trimethyl-[2-[[(2R)-2-octadecanoyloxy-3-pentacosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[(2R)-2-octadecanoyloxy-3-pentacosanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-(1-oxooctadecoxy)-3-(1-oxopentacosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2R)-2-octadecanoyloxy-3-pentacosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(2R)-3-pentacosanoyloxy-2-stearoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C51H103NO8P+ MolecularWeight: 889.339181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52(3,4)5)60-51(54)44-42-40-38-36-34-32-29-21-19-17-15-13-11-9-7-2/h49H,6-48H2,1-5H3/p+1/t49-/m1/s1