2-(2,3-dimethylimidazol-3-ium-1-yl)-1-phenyl-ethanone chloride

Systemtic Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)-1-phenyl-ethanone chloride Openeye Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)-1-phenyl-ethanone chloride CAS Name: 2-(2,3-dimethyl-1-imidazol-3-iumyl)-1-phenylethanone chloride IUPAC Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)-1-phenylethanone chloride Traditional Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)-1-phenyl-ethanone chloride Formula: C13H15ClN2O MolecularWeight: 250.724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC(=O)C2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

CC1=[N+](C=CN1CC(=O)C2=CC=CC=C2)C.[Cl-]

InChI

InChI=1S/C13H15N2O.ClH/c1-11-14(2)8-9-15(11)10-13(16)12-6-4-3-5-7-12;/h3-9H,10H2,1-2H3;1H/q+1;/p-1