N-[3,4-bis(fluoranyl)phenyl]-1-methyl-pyridin-1-ium-2-carboxamide bromide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-1-methyl-pyridin-1-ium-2-carboxamide bromide Openeye Name: N-(3,4-difluorophenyl)-1-methyl-pyridin-1-ium-2-carboxamide bromide CAS Name: N-(3,4-difluorophenyl)-1-methyl-2-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(3,4-difluorophenyl)-1-methylpyridin-1-ium-2-carboxamide bromide Traditional Name: N-(3,4-difluorophenyl)-1-methyl-pyridin-1-ium-2-carboxamide bromide Formula: C13H11BrF2N2O MolecularWeight: 329.140046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)F)F.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)F)F.[Br-]

InChI

InChI=1S/C13H10F2N2O.BrH/c1-17-7-3-2-4-12(17)13(18)16-9-5-6-10(14)11(15)8-9;/h2-8H,1H3;1H