1-oxidanidyl-N-[[5-[3-(trifluoromethyloxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[[5-[3-(trifluoromethyloxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[[5-[3-(trifluoromethoxy)phenyl]coumaran-2-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C22H17F3N2O4 MolecularWeight: 430.37659

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)C3=CC(=CC=C3)OC(F)(F)F)CNC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)C3=CC(=CC=C3)OC(F)(F)F)CNC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C22H17F3N2O4/c23-22(24,25)31-18-5-1-3-14(10-18)15-6-7-20-17(9-15)11-19(30-20)12-26-21(28)16-4-2-8-27(29)13-16/h1-10,13,19H,11-12H2,(H,26,28)