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

Systemtic Name: 1-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-(3-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(3-bromophenyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[2-(3-bromophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-[2-(3-bromophenyl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C21H18Br2N2O2 MolecularWeight: 490.18782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2.BrH/c22-19-8-4-7-18(13-19)20(25)15-24-11-9-17(10-12-24)21(26)23-14-16-5-2-1-3-6-16;/h1-13H,14-15H2;1H