1-(4-methylphenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone chloride

Systemtic Name: 1-(4-methylphenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(p-tolyl)ethanone chloride CAS Name: 1-(4-methylphenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone chloride IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(4-methylphenyl)ethanone chloride Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(p-tolyl)ethanone chloride Formula: C21H20ClNO MolecularWeight: 337.8426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H20NO.ClH/c1-17-7-9-20(10-8-17)21(23)16-22-13-11-19(12-14-22)15-18-5-3-2-4-6-18;/h2-14H,15-16H2,1H3;1H/q+1;/p-1