2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethyl-azanium bromide

Systemtic Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: 2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethyl-ammonium bromide Formula: C43H82BrNO5 MolecularWeight: 773.01888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H82NO5.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)48-40-41(39-44(3,4)37-38-45)49-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22,41,45H,5-18,23-40H2,1-4H3;1H/q+1;/p-1/b21-19-,22-20-;