2-(4-methylpyridin-1-ium-1-yl)-1-thiophen-3-yl-ethanone bromide

Systemtic Name: 2-(4-methylpyridin-1-ium-1-yl)-1-thiophen-3-yl-ethanone bromide Openeye Name: 2-(4-methylpyridin-1-ium-1-yl)-1-(3-thienyl)ethanone bromide CAS Name: 2-(4-methyl-1-pyridin-1-iumyl)-1-(3-thiophenyl)ethanone bromide IUPAC Name: 2-(4-methylpyridin-1-ium-1-yl)-1-thiophen-3-ylethanone bromide Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)-1-(3-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=CSC=C2.[Br-]

Isomeric SMILES

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

InChI

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