1-(1-dodecyl-8-oxidanyl-quinolin-1-ium-5-yl)ethanone bromide

Systemtic Name: 1-(1-dodecyl-8-oxidanyl-quinolin-1-ium-5-yl)ethanone bromide Openeye Name: 1-(1-dodecyl-8-hydroxy-quinolin-1-ium-5-yl)ethanone bromide CAS Name: 1-(1-dodecyl-8-hydroxy-5-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(1-dodecyl-8-hydroxyquinolin-1-ium-5-yl)ethanone bromide Traditional Name: 1-(8-hydroxy-1-lauryl-quinolin-1-ium-5-yl)ethanone bromide Formula: C23H34BrNO2 MolecularWeight: 436.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC2=C(C=CC(=C21)O)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC2=C(C=CC(=C21)O)C(=O)C.[Br-]

InChI

InChI=1S/C23H33NO2.BrH/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-13-14-21-20(19(2)25)15-16-22(26)23(21)24;/h13-16,18H,3-12,17H2,1-2H3;1H