tridodecyl-(5-oxidanyl-5-oxidanylidene-pentyl)azanium bromide

Systemtic Name: tridodecyl-(5-oxidanyl-5-oxidanylidene-pentyl)azanium bromide Openeye Name: tridodecyl-(5-hydroxy-5-oxo-pentyl)ammonium bromide CAS Name: tridodecyl-(5-hydroxy-5-oxopentyl)ammonium bromide IUPAC Name: tridodecyl-(5-hydroxy-5-oxopentyl)azanium bromide Traditional Name: (5-hydroxy-5-keto-pentyl)-trilauryl-ammonium bromide Formula: C41H84BrNO2 MolecularWeight: 703.01516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCC(=O)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCC(=O)O.[Br-]

InChI

InChI=1S/C41H83NO2.BrH/c1-4-7-10-13-16-19-22-25-28-32-37-42(40-35-31-36-41(43)44,38-33-29-26-23-20-17-14-11-8-5-2)39-34-30-27-24-21-18-15-12-9-6-3;/h4-40H2,1-3H3;1H