3-(1-methylpyridin-1-ium-2-yl)-1-thiophen-2-yl-propan-1-one iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-2-yl)-1-thiophen-2-yl-propan-1-one iodide Openeye Name: 3-(1-methylpyridin-1-ium-2-yl)-1-(2-thienyl)propan-1-one iodide CAS Name: 3-(1-methyl-2-pyridin-1-iumyl)-1-thiophen-2-yl-1-propanone iodide IUPAC Name: 3-(1-methylpyridin-1-ium-2-yl)-1-thiophen-2-ylpropan-1-one iodide Traditional Name: 3-(1-methylpyridin-1-ium-2-yl)-1-(2-thienyl)propan-1-one iodide Formula: C13H14INOS MolecularWeight: 359.22583

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CCC(=O)C2=CC=CS2.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1CCC(=O)C2=CC=CS2.[I-]

InChI

InChI=1S/C13H14NOS.HI/c1-14-9-3-2-5-11(14)7-8-12(15)13-6-4-10-16-13;/h2-6,9-10H,7-8H2,1H3;1H/q+1;/p-1