5-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]thiophene-2-carbonitrile bromide

Systemtic Name: 5-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]thiophene-2-carbonitrile bromide Openeye Name: 5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]thiophene-2-carbonitrile bromide CAS Name: 5-[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-2-thiophenecarbonitrile bromide IUPAC Name: 5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]thiophene-2-carbonitrile bromide Traditional Name: 5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]thiophene-2-carbonitrile bromide Formula: C13H11BrN2OS MolecularWeight: 323.20824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N2OS.BrH/c1-10-4-2-3-7-15(10)9-12(16)13-6-5-11(8-14)17-13;/h2-7H,9H2,1H3;1H/q+1;/p-1