1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(4-bromophenyl)-2-oxo-ethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide Formula: C21H18BrN2O3+ MolecularWeight: 426.28322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O3/c1-27-19-10-8-18(9-11-19)23-21(26)16-3-2-12-24(13-16)14-20(25)15-4-6-17(22)7-5-15/h2-13H,14H2,1H3/p+1