1-(5-bromanylthiophen-2-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-(2,3-dimethyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Formula: C13H13BrNOS+ MolecularWeight: 311.21742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)C2=CC=C(S2)Br)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)C2=CC=C(S2)Br)C

InChI

InChI=1S/C13H13BrNOS/c1-9-4-3-7-15(10(9)2)8-11(16)12-5-6-13(14)17-12/h3-7H,8H2,1-2H3/q+1