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

Systemtic Name: 1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone Openeye Name: 1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone CAS Name: 1-(3-hydroxyphenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone IUPAC Name: 1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone Traditional Name: 1-(3-hydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone Formula: C12H13N2O2+ MolecularWeight: 217.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2/c1-13-5-6-14(9-13)8-12(16)10-3-2-4-11(15)7-10/h2-7,9H,8H2,1H3/p+1