4,5-bis[[(E)-octadec-9-enoyl]oxy]pentan-2-yl-dimethyl-oxidanyl-azanium bromide

Systemtic Name: 4,5-bis[[(E)-octadec-9-enoyl]oxy]pentan-2-yl-dimethyl-oxidanyl-azanium bromide Openeye Name: hydroxy-dimethyl-[1-methyl-3,4-bis[[(E)-octadec-9-enoyl]oxy]butyl]ammonium bromide CAS Name: 4,5-bis[(E)-1-oxooctadec-9-enoxy]pentan-2-yl-hydroxy-dimethylammonium bromide IUPAC Name: 4,5-bis[[(E)-octadec-9-enoyl]oxy]pentan-2-yl-hydroxy-dimethylazanium bromide Traditional Name: hydroxy-dimethyl-[1-methyl-3,4-bis[[(E)-octadec-9-enoyl]oxy]butyl]ammonium bromide Formula: C43H82BrNO5 MolecularWeight: 773.01888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H82NO5.BrH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(45)48-39-41(38-40(3)44(4,5)47)49-43(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,40-41,47H,6-19,24-39H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;