(3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate

Systemtic Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate CAS Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Formula: C17H12FN3O2 MolecularWeight: 309.294483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(=C(NC2=O)[O-])C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=[N+](C=C1)[C@@H]2[C@H](C(=C(NC2=O)[O-])C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H12FN3O2/c18-12-6-4-11(5-7-12)14-13(10-19)16(22)20-17(23)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)/t14-,15+/m0/s1