(3R,4R)-4-(2-fluorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-6-oxidanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (3R,4R)-4-(2-fluorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-6-oxidanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4R)-4-(2-fluorophenyl)-6-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4R)-4-(2-fluorophenyl)-6-hydroxy-3-(3-methyl-1-pyridin-1-iumyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4R)-4-(2-fluorophenyl)-6-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4R)-4-(2-fluorophenyl)-6-hydroxy-2-keto-3-(3-methylpyridin-1-ium-1-yl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H15FN3O2+ MolecularWeight: 324.329003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(NC2=O)O)C#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H]2[C@H](C(=C(NC2=O)O)C#N)C3=CC=CC=C3F

InChI

InChI=1S/C18H14FN3O2/c1-11-5-4-8-22(10-11)16-15(12-6-2-3-7-14(12)19)13(9-20)17(23)21-18(16)24/h2-8,10,15-16H,1H3,(H-,21,23,24)/p+1/t15-,16+/m0/s1