N-[4-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide

Systemtic Name: N-[4-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide Openeye Name: N-[4-[2-(4-methylpyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide CAS Name: N-[4-[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]benzamide bromide IUPAC Name: N-[4-[2-(4-methylpyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Traditional Name: N-[4-[2-(4-methylpyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Formula: C21H19BrN2O2 MolecularWeight: 411.29176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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