1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one iodide

Systemtic Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one iodide Openeye Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one iodide CAS Name: 1-[(1,3-dimethyl-2-imidazol-1-iumyl)thio]-2-propanone iodide IUPAC Name: 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one iodide Traditional Name: 1-[(1,3-dimethylimidazol-1-ium-2-yl)thio]acetone iodide Formula: C8H13IN2OS MolecularWeight: 312.17109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=[N+](C=CN1C)C.[I-]

Isomeric SMILES

CC(=O)CSC1=[N+](C=CN1C)C.[I-]

InChI

InChI=1S/C8H13N2OS.HI/c1-7(11)6-12-8-9(2)4-5-10(8)3;/h4-5H,6H2,1-3H3;1H/q+1;/p-1