1-(1-phenethylpyridin-1-ium-3-yl)ethanone bromide

Systemtic Name: 1-(1-phenethylpyridin-1-ium-3-yl)ethanone bromide Openeye Name: 1-(1-phenethylpyridin-1-ium-3-yl)ethanone bromide CAS Name: 1-(1-phenethyl-3-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(1-phenethylpyridin-1-ium-3-yl)ethanone bromide Traditional Name: 1-(1-phenethylpyridin-1-ium-3-yl)ethanone bromide Formula: C15H16BrNO MolecularWeight: 306.19764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CCC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H16NO.BrH/c1-13(17)15-8-5-10-16(12-15)11-9-14-6-3-2-4-7-14;/h2-8,10,12H,9,11H2,1H3;1H/q+1;/p-1