1-phenyl-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-phenyl-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-phenyl-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-phenyl-2-(2-propyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-phenyl-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-phenyl-2-(2-propylpyridin-1-ium-1-yl)ethanone bromide Formula: C16H18BrNO MolecularWeight: 320.22422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=[N+]1CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCC1=CC=CC=[N+]1CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H18NO.BrH/c1-2-8-15-11-6-7-12-17(15)13-16(18)14-9-4-3-5-10-14;/h3-7,9-12H,2,8,13H2,1H3;1H/q+1;/p-1