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

Systemtic Name: 1-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: N-benzyl-1-[2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide bromide Traditional Name: N-benzyl-1-[2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C22H20BrClN2O2 MolecularWeight: 459.7634

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)C(=O)NCC3=CC=CC=C3.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O2.BrH/c1-16(21(26)18-9-11-20(23)12-10-18)25-13-5-8-19(15-25)22(27)24-14-17-6-3-2-4-7-17;/h2-13,15-16H,14H2,1H3;1H