2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-ethoxy-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-ethoxy-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-ethoxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy-ethoxyphosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-ethoxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-ethoxy-phosphoryl]ethyl-trimethyl-ammonium Formula: C46H89NO7P+ MolecularWeight: 799.175121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H89NO7P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)51-42-44(43-53-55(50,52-9-3)41-40-47(4,5)6)54-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h22-25,44H,7-21,26-43H2,1-6H3/q+1/b24-22+,25-23+