1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone; methane; chloride

Systemtic Name: 1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone; methane; chloride Openeye Name: 1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone; methane; chloride CAS Name: 1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone; methane; chloride IUPAC Name: 1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone; methane; chloride Traditional Name: 1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone; methane; chloride Formula: C12H16ClN3O MolecularWeight: 253.72794

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC(=CC=C1C(=O)C[NH+]2C=CN=C2)N.[Cl-]

Isomeric SMILES

C.C1=CC(=CC=C1C(=O)C[NH+]2C=CN=C2)N.[Cl-]

InChI

InChI=1S/C11H11N3O.CH4.ClH/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14;;/h1-6,8H,7,12H2;1H4;1H