trimethyl-[1-[[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]propyl]azanium

Systemtic Name: trimethyl-[1-[[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]propyl]azanium Openeye Name: 1-[hydroxy-[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]phosphoryl]propyl-trimethyl-ammonium CAS Name: 1-[hydroxy-[2-[(E)-1-oxooctadec-9-enoxy]-3-(1-oxooctadecoxy)propoxy]phosphoryl]propyl-trimethylammonium IUPAC Name: 1-[hydroxy-[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropoxy]phosphoryl]propyl-trimethylazanium Traditional Name: 1-[hydroxy-[2-[(E)-octadec-9-enoyl]oxy-3-stearoyloxy-propoxy]phosphoryl]propyl-trimethyl-ammonium Formula: C45H89NO7P+ MolecularWeight: 787.164421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H88NO7P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44(47)51-40-42(41-52-54(49,50)43(9-3)46(4,5)6)53-45(48)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h23,25,42-43H,7-22,24,26-41H2,1-6H3/p+1/b25-23+