(1-butylpyridin-1-ium-3-yl)-phenyl-methanone bromide

Systemtic Name: (1-butylpyridin-1-ium-3-yl)-phenyl-methanone bromide Openeye Name: (1-butylpyridin-1-ium-3-yl)-phenyl-methanone bromide CAS Name: (1-butyl-3-pyridin-1-iumyl)-phenylmethanone bromide IUPAC Name: (1-butylpyridin-1-ium-3-yl)-phenylmethanone bromide Traditional Name: (1-butylpyridin-1-ium-3-yl)-phenyl-methanone bromide Formula: C16H18BrNO MolecularWeight: 320.22422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCC[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H18NO.BrH/c1-2-3-11-17-12-7-10-15(13-17)16(18)14-8-5-4-6-9-14;/h4-10,12-13H,2-3,11H2,1H3;1H/q+1;/p-1