1-(1,3,4-trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one

Systemtic Name: 1-(1,3,4-trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one Openeye Name: 1-(1,3,4-trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one CAS Name: 1-[(1,3,4-trimethyl-2-imidazol-1-iumyl)thio]-2-propanone IUPAC Name: 1-(1,3,4-trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one Traditional Name: 1-[(1,3,4-trimethylimidazol-1-ium-2-yl)thio]acetone Formula: C9H15N2OS+ MolecularWeight: 199.2932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(N1C)SCC(=O)C)C

Isomeric SMILES

CC1=C[N+](=C(N1C)SCC(=O)C)C

InChI

InChI=1S/C9H15N2OS/c1-7-5-10(3)9(11(7)4)13-6-8(2)12/h5H,6H2,1-4H3/q+1