4-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Formula: C19H19FN2O4 MolecularWeight: 358.363563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC(=CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC(=CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O4/c1-26-18-11-13(10-17(19(18)23)22(24)25)12-21-8-6-15(7-9-21)14-2-4-16(20)5-3-14/h2-6,10-11,23H,7-9,12H2,1H3