1-(4-methylphenyl)-2-(7-methylthieno[2,3-c]pyridin-6-ium-6-yl)ethanone bromide

Systemtic Name: 1-(4-methylphenyl)-2-(7-methylthieno[2,3-c]pyridin-6-ium-6-yl)ethanone bromide Openeye Name: 2-(7-methylthieno[2,3-c]pyridin-6-ium-6-yl)-1-(p-tolyl)ethanone bromide CAS Name: 1-(4-methylphenyl)-2-(7-methyl-6-thieno[2,3-c]pyridin-6-iumyl)ethanone bromide IUPAC Name: 1-(4-methylphenyl)-2-(7-methylthieno[2,3-c]pyridin-6-ium-6-yl)ethanone bromide Traditional Name: 2-(7-methylthieno[2,3-c]pyridin-6-ium-6-yl)-1-(p-tolyl)ethanone bromide Formula: C17H16BrNOS MolecularWeight: 362.28404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=C(C3=C(C=C2)C=CS3)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=C(C3=C(C=C2)C=CS3)C.[Br-]

InChI

InChI=1S/C17H16NOS.BrH/c1-12-3-5-14(6-4-12)16(19)11-18-9-7-15-8-10-20-17(15)13(18)2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1