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

Systemtic Name: 1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-(4-fluorophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(4-fluorophenyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-[2-(4-fluorophenyl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C21H18BrFN2O2 MolecularWeight: 429.282223

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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=C(C=C3)F.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O2.BrH/c22-19-8-6-17(7-9-19)20(25)15-24-12-10-18(11-13-24)21(26)23-14-16-4-2-1-3-5-16;/h1-13H,14-15H2;1H