2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanone bromide

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanone bromide Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanone bromide CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(4-tert-butylphenyl)ethanone bromide IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanone bromide Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanone bromide Formula: C17H19Br2NO MolecularWeight: 413.14686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-]

InChI

InChI=1S/C17H19BrNO.BrH/c1-17(2,3)14-8-6-13(7-9-14)16(20)12-19-10-4-5-15(18)11-19;/h4-11H,12H2,1-3H3;1H/q+1;/p-1