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

Systemtic Name: trimethyl-[2-[[(2R)-3-octadecanoyloxy-2-propanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[(2R)-3-octadecanoyloxy-2-propanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-3-(1-oxooctadecoxy)-2-(1-oxopropoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2R)-3-octadecanoyloxy-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(2R)-2-propionyloxy-3-stearoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H59NO8P+ MolecularWeight: 580.754421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC

InChI

InChI=1S/C29H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(32)35-25-27(38-28(31)7-2)26-37-39(33,34)36-24-23-30(3,4)5/h27H,6-26H2,1-5H3/p+1/t27-/m1/s1