N-[4-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide

Systemtic Name: N-[4-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide Openeye Name: N-[4-[2-(3,5-dimethylpyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide CAS Name: N-[4-[2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]benzamide bromide IUPAC Name: N-[4-[2-(3,5-dimethylpyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Traditional Name: N-[4-[2-(3,5-dimethylpyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2.BrH/c1-16-12-17(2)14-24(13-16)15-21(25)18-8-10-20(11-9-18)23-22(26)19-6-4-3-5-7-19;/h3-14H,15H2,1-2H3;1H