1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-(3-oxidanylpropyl)azanium bromide

Systemtic Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-(3-oxidanylpropyl)azanium bromide Openeye Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-(3-hydroxypropyl)-dimethyl-ammonium bromide CAS Name: 1,2-bis[(E)-1-oxooctadec-9-enoxy]propyl-(3-hydroxypropyl)-dimethylammonium bromide IUPAC Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-(3-hydroxypropyl)-dimethylazanium bromide Traditional Name: 1,2-bis[[(E)-octadec-9-enoyl]oxy]propyl-(3-hydroxypropyl)-dimethyl-ammonium bromide Formula: C44H84BrNO5 MolecularWeight: 787.04546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)C([N+](C)(C)CCCO)OC(=O)CCCCCCCC=CCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C)C([N+](C)(C)CCCO)OC(=O)CCCCCCC/C=C/CCCCCCCC.[Br-]

InChI

InChI=1S/C44H84NO5.BrH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-42(47)49-41(3)44(45(4,5)39-36-40-46)50-43(48)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,41,44,46H,6-19,24-40H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;