1-(4-methoxyphenyl)-2-(1-methyl-2-methylsulfanyl-imidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-(1-methyl-2-methylsulfanyl-imidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-(1-methyl-2-methylsulfanyl-imidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[1-methyl-2-(methylthio)-5-imidazo[4,5-c]pyridin-5-iumyl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-(1-methyl-2-methylsulfanylimidazo[4,5-c]pyridin-5-ium-5-yl)ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[1-methyl-2-(methylthio)imidazo[4,5-c]pyridin-5-ium-5-yl]ethanone bromide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=[N+](C=C2)CC(=O)C3=CC=C(C=C3)OC)N=C1SC.[Br-]

Isomeric SMILES

CN1C2=C(C=[N+](C=C2)CC(=O)C3=CC=C(C=C3)OC)N=C1SC.[Br-]

InChI

InChI=1S/C17H18N3O2S.BrH/c1-19-15-8-9-20(10-14(15)18-17(19)23-3)11-16(21)12-4-6-13(22-2)7-5-12;/h4-10H,11H2,1-3H3;1H/q+1;/p-1