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

Systemtic Name: 1-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(3-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide CAS Name: 1-[2-(3-bromophenyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(3-bromophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(3-bromophenyl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide Formula: C21H18BrN2O2+ MolecularWeight: 410.28382

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O2/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/p+1