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

Systemtic Name: 2-(4-methylpyridin-1-ium-1-yl)-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(4-methylpyridin-1-ium-1-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-(4-methyl-1-pyridin-1-iumyl)-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(4-methylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)-1-(2-thienyl)ethanone bromide Formula: C12H12BrNOS MolecularWeight: 298.19878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C2=CC=CS2.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=CC=CS2.[Br-]

InChI

InChI=1S/C12H12NOS.BrH/c1-10-4-6-13(7-5-10)9-11(14)12-3-2-8-15-12;/h2-8H,9H2,1H3;1H/q+1;/p-1