1-(4-bromophenyl)-2-(4-octylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-(4-octylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-(4-octylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-bromophenyl)-2-(4-octyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(4-octylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-(4-octylpyridin-1-ium-1-yl)ethanone bromide Formula: C21H27Br2NO MolecularWeight: 469.25318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-]

Isomeric SMILES

CCCCCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-]

InChI

InChI=1S/C21H27BrNO.BrH/c1-2-3-4-5-6-7-8-18-13-15-23(16-14-18)17-21(24)19-9-11-20(22)12-10-19;/h9-16H,2-8,17H2,1H3;1H/q+1;/p-1