1'-methyl-1'-oxidanidyl-1-phenyl-5-(trifluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidin-1-ium]

Systemtic Name: 1'-methyl-1'-oxidanidyl-1-phenyl-5-(trifluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidin-1-ium] Openeye Name: 1'-methyl-1'-oxido-1-phenyl-5-(trifluoromethyl)spiro[1H-isobenzofuran-3,4'-piperidin-1-ium] CAS Name: 1'-methyl-1'-oxido-1-phenyl-5-(trifluoromethyl)spiro[1H-isobenzofuran-3,4'-piperidin-1-ium] IUPAC Name: 1'-methyl-1'-oxido-1-phenyl-5-(trifluoromethyl)spiro[1H-2-benzofuran-3,4'-piperidin-1-ium] Traditional Name: 1'-methyl-1'-oxido-3-phenyl-6-(trifluoromethyl)spiro[phthalan-1,4'-piperidin-1-ium] Formula: C20H20F3NO2 MolecularWeight: 363.37351

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2(CC1)C3=C(C=CC(=C3)C(F)(F)F)C(O2)C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+]1(CCC2(CC1)C3=C(C=CC(=C3)C(F)(F)F)C(O2)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H20F3NO2/c1-24(25)11-9-19(10-12-24)17-13-15(20(21,22)23)7-8-16(17)18(26-19)14-5-3-2-4-6-14/h2-8,13,18H,9-12H2,1H3