4-[bis(fluoranyl)methoxy]-N-[(1-phenacylpyridin-1-ium-3-yl)methyl]benzamide bromide

Systemtic Name: 4-[bis(fluoranyl)methoxy]-N-[(1-phenacylpyridin-1-ium-3-yl)methyl]benzamide bromide Openeye Name: 4-(difluoromethoxy)-N-[(1-phenacylpyridin-1-ium-3-yl)methyl]benzamide bromide CAS Name: 4-(difluoromethoxy)-N-[(1-phenacyl-3-pyridin-1-iumyl)methyl]benzamide bromide IUPAC Name: 4-(difluoromethoxy)-N-[(1-phenacylpyridin-1-ium-3-yl)methyl]benzamide bromide Traditional Name: 4-(difluoromethoxy)-N-[(1-phenacylpyridin-1-ium-3-yl)methyl]benzamide bromide Formula: C22H19BrF2N2O3 MolecularWeight: 477.298666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)OC(F)F.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)OC(F)F.[Br-]

InChI

InChI=1S/C22H18F2N2O3.BrH/c23-22(24)29-19-10-8-18(9-11-19)21(28)25-13-16-5-4-12-26(14-16)15-20(27)17-6-2-1-3-7-17;/h1-12,14,22H,13,15H2;1H