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

Systemtic Name: 5-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]thiophene-2-carbonitrile Openeye Name: 5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]thiophene-2-carbonitrile CAS Name: 5-[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-2-thiophenecarbonitrile IUPAC Name: 5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]thiophene-2-carbonitrile Traditional Name: 5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]thiophene-2-carbonitrile Formula: C13H11N2OS+ MolecularWeight: 243.30424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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