1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-oxo-2-(p-tolyl)ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(4-methylphenyl)-2-oxoethyl]-N-phenyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-methylphenyl)-2-oxoethyl]-N-phenylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-2-(p-tolyl)ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide bromide Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H18N2O2.BrH/c1-16-9-11-17(12-10-16)20(24)15-23-13-5-6-18(14-23)21(25)22-19-7-3-2-4-8-19;/h2-14H,15H2,1H3;1H