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

Systemtic Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxidanylidene-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridin-6-olate Openeye Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxo-3-[4-(4-pyridyl)pyridin-1-ium-1-yl]-3,4-dihydro-1H-pyridin-6-olate CAS Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxo-3-(4-pyridin-4-yl-1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-oxo-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridin-6-olate Traditional Name: (3R,4S)-5-cyano-4-(4-fluorophenyl)-2-keto-3-[4-(4-pyridyl)pyridin-1-ium-1-yl]-3,4-dihydro-1H-pyridin-6-olate Formula: C22H15FN4O2 MolecularWeight: 386.378503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=O)NC(=C2C#N)[O-])[N+]3=CC=C(C=C3)C4=CC=NC=C4)F

Isomeric SMILES

C1=CC(=CC=C1[C@@H]2[C@H](C(=O)NC(=C2C#N)[O-])[N+]3=CC=C(C=C3)C4=CC=NC=C4)F

InChI

InChI=1S/C22H15FN4O2/c23-17-3-1-16(2-4-17)19-18(13-24)21(28)26-22(29)20(19)27-11-7-15(8-12-27)14-5-9-25-10-6-14/h1-12,19-20H,(H-,26,28,29)/t19-,20+/m0/s1