1-(1-benzothiophen-2-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(1-benzothiophen-2-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(benzothiophen-2-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(1-benzothiophen-2-yl)-2-(4-methyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(1-benzothiophen-2-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(benzothiophen-2-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Formula: C16H14BrNOS MolecularWeight: 348.25746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C2=CC3=CC=CC=C3S2.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=CC3=CC=CC=C3S2.[Br-]

InChI

InChI=1S/C16H14NOS.BrH/c1-12-6-8-17(9-7-12)11-14(18)16-10-13-4-2-3-5-15(13)19-16;/h2-10H,11H2,1H3;1H/q+1;/p-1