1-(5-chloranylthiophen-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(5-chloro-2-thienyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(5-chloro-2-thiophenyl)-2-(2-methyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(5-chlorothiophen-2-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(5-chloro-2-thienyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide Formula: C12H11BrClNOS MolecularWeight: 332.64384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=CC=C(S2)Cl.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=CC=C(S2)Cl.[Br-]

InChI

InChI=1S/C12H11ClNOS.BrH/c1-9-4-2-3-7-14(9)8-10(15)11-5-6-12(13)16-11;/h2-7H,8H2,1H3;1H/q+1;/p-1