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

Systemtic Name: 3-(1-methylpyridin-1-ium-2-yl)-1-thiophen-2-yl-propan-1-one Openeye Name: 3-(1-methylpyridin-1-ium-2-yl)-1-(2-thienyl)propan-1-one CAS Name: 3-(1-methyl-2-pyridin-1-iumyl)-1-thiophen-2-yl-1-propanone IUPAC Name: 3-(1-methylpyridin-1-ium-2-yl)-1-thiophen-2-ylpropan-1-one Traditional Name: 3-(1-methylpyridin-1-ium-2-yl)-1-(2-thienyl)propan-1-one Formula: C13H14NOS+ MolecularWeight: 232.32136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14NOS/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/q+1