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

Systemtic Name: 1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(4-methylphenyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-[2-keto-2-(p-tolyl)ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H20N2O2.BrH/c1-17-7-9-19(10-8-17)21(25)16-24-13-11-20(12-14-24)22(26)23-15-18-5-3-2-4-6-18;/h2-14H,15-16H2,1H3;1H