N-[1-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-yl]benzamide bromide

Systemtic Name: N-[1-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-yl]benzamide bromide Openeye Name: N-[1-[2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-yl]benzamide bromide CAS Name: N-[1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-pyridin-1-iumyl]benzamide bromide IUPAC Name: N-[1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]pyridin-1-ium-3-yl]benzamide bromide Traditional Name: N-[1-[2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-yl]benzamide bromide Formula: C21H18BrClN2O2 MolecularWeight: 445.73682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O2.BrH/c1-15(20(25)16-9-11-18(22)12-10-16)24-13-5-8-19(14-24)23-21(26)17-6-3-2-4-7-17;/h2-15H,1H3;1H