(2S)-2-methoxy-1-(3-methylimidazol-3-ium-1-yl)-2-phenyl-ethanone chloride

Systemtic Name: (2S)-2-methoxy-1-(3-methylimidazol-3-ium-1-yl)-2-phenyl-ethanone chloride Openeye Name: (2S)-2-methoxy-1-(3-methylimidazol-3-ium-1-yl)-2-phenyl-ethanone chloride CAS Name: (2S)-2-methoxy-1-(3-methyl-1-imidazol-3-iumyl)-2-phenylethanone chloride IUPAC Name: (2S)-2-methoxy-1-(3-methylimidazol-3-ium-1-yl)-2-phenylethanone chloride Traditional Name: (2S)-2-methoxy-1-(3-methylimidazol-3-ium-1-yl)-2-phenyl-ethanone chloride Formula: C13H15ClN2O2 MolecularWeight: 266.7234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)C(C2=CC=CC=C2)OC.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)[C@H](C2=CC=CC=C2)OC.[Cl-]

InChI

InChI=1S/C13H15N2O2.ClH/c1-14-8-9-15(10-14)13(16)12(17-2)11-6-4-3-5-7-11;/h3-10,12H,1-2H3;1H/q+1;/p-1/t12-;/m0./s1