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

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(4-bromophenyl)-2-oxo-ethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]-N-(4-methoxyphenyl)pyridin-1-ium-3-carboxamide bromide Formula: C21H18Br2N2O3 MolecularWeight: 506.18722

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O3.BrH/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;1H