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

Systemtic Name: trimethyl-[1-[[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]butyl]azanium Openeye Name: 1-[hydroxy-[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]phosphoryl]butyl-trimethyl-ammonium CAS Name: 1-[hydroxy-[2-[(E)-1-oxooctadec-9-enoxy]-3-(1-oxooctadecoxy)propoxy]phosphoryl]butyl-trimethylammonium IUPAC Name: 1-[hydroxy-[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropoxy]phosphoryl]butyl-trimethylazanium Traditional Name: 1-[hydroxy-[2-[(E)-octadec-9-enoyl]oxy-3-stearoyloxy-propoxy]phosphoryl]butyl-trimethyl-ammonium Formula: C46H91NO7P+ MolecularWeight: 801.191001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H90NO7P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-45(48)52-41-43(42-53-55(50,51)44(38-9-3)47(4,5)6)54-46(49)40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h23,25,43-44H,7-22,24,26-42H2,1-6H3/p+1/b25-23+