2-(3-methylimidazol-3-ium-1-yl)-1-thiophen-2-yl-ethanone

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)-1-thiophen-2-yl-ethanone Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(2-thienyl)ethanone CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)-1-thiophen-2-ylethanone IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)-1-thiophen-2-ylethanone Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(2-thienyl)ethanone Formula: C10H11N2OS+ MolecularWeight: 207.27214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC=CS2

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC=CS2

InChI

InChI=1S/C10H11N2OS/c1-11-4-5-12(8-11)7-9(13)10-3-2-6-14-10/h2-6,8H,7H2,1H3/q+1