(3-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)methanolate

Systemtic Name: (3-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)methanolate Openeye Name: (3-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)methanolate CAS Name: (3-chlorophenyl)-(1,3-dimethyl-2-imidazol-1-iumyl)methanolate IUPAC Name: (3-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)methanolate Traditional Name: (3-chlorophenyl)-(1,3-dimethylimidazol-1-ium-2-yl)methanolate Formula: C12H13ClN2O MolecularWeight: 236.69742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C(C2=CC(=CC=C2)Cl)[O-])C

Isomeric SMILES

CN1C=C[N+](=C1C(C2=CC(=CC=C2)Cl)[O-])C

InChI

InChI=1S/C12H13ClN2O/c1-14-6-7-15(2)12(14)11(16)9-4-3-5-10(13)8-9/h3-8,11H,1-2H3