trimethyl-[2-[[3-octadecanoyloxy-2-[(Z)-octadec-12-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[3-octadecanoyloxy-2-[(Z)-octadec-12-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[3-octadecanoyloxy-2-[(Z)-octadec-12-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[(Z)-1-oxooctadec-12-enoxy]-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[3-octadecanoyloxy-2-[(Z)-octadec-12-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[2-[(Z)-octadec-12-enoyl]oxy-3-stearoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H87NO8P+ MolecularWeight: 789.137241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC/C=C\CCCCC

InChI

InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,42H,6-14,16,18-41H2,1-5H3/p+1/b17-15-