1-[5-methyl-2-[1-(phenylmethyl)pyridin-1-ium-3-yl]-1H-imidazol-4-yl]ethanone chloride

Systemtic Name: 1-[5-methyl-2-[1-(phenylmethyl)pyridin-1-ium-3-yl]-1H-imidazol-4-yl]ethanone chloride Openeye Name: 1-[2-(1-benzylpyridin-1-ium-3-yl)-5-methyl-1H-imidazol-4-yl]ethanone chloride CAS Name: 1-[5-methyl-2-[1-(phenylmethyl)-3-pyridin-1-iumyl]-1H-imidazol-4-yl]ethanone chloride IUPAC Name: 1-[2-(1-benzylpyridin-1-ium-3-yl)-5-methyl-1H-imidazol-4-yl]ethanone chloride Traditional Name: 1-[2-(1-benzylpyridin-1-ium-3-yl)-5-methyl-1H-imidazol-4-yl]ethanone chloride Formula: C18H18ClN3O MolecularWeight: 327.80802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=C[N+](=CC=C2)CC3=CC=CC=C3)C(=O)C.[Cl-]

Isomeric SMILES

CC1=C(N=C(N1)C2=C[N+](=CC=C2)CC3=CC=CC=C3)C(=O)C.[Cl-]

InChI

InChI=1S/C18H17N3O.ClH/c1-13-17(14(2)22)20-18(19-13)16-9-6-10-21(12-16)11-15-7-4-3-5-8-15;/h3-10,12H,11H2,1-2H3;1H