N-(4-bromanyl-3-methyl-phenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide chloride CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-N-(4-bromo-3-methylphenyl)acetamide chloride IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-bromo-3-methylphenyl)acetamide chloride Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide chloride Formula: C21H18BrClN2O2 MolecularWeight: 445.73682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2.ClH/c1-15-13-18(7-8-19(15)22)23-20(25)14-24-11-9-17(10-12-24)21(26)16-5-3-2-4-6-16;/h2-13H,14H2,1H3;1H