1-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[1-methyl-2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[1-(4-methylphenyl)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[1-(4-methylphenyl)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-1-methyl-2-(p-tolyl)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2.BrH/c1-11-5-7-13(8-6-11)15(19)12(2)18-9-3-4-14(10-18)16(17)20;/h3-10,12H,1-2H3,(H-,17,20);1H