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

Systemtic Name: (3R,4R)-4-(3,4-dimethoxyphenyl)-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4R)-4-(3,4-dimethoxyphenyl)-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4R)-4-(3,4-dimethoxyphenyl)-6-hydroxy-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4R)-4-(3,4-dimethoxyphenyl)-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4R)-4-(3,4-dimethoxyphenyl)-6-hydroxy-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C19H18N3O4+ MolecularWeight: 352.36392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@H](C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3)OC

InChI

InChI=1S/C19H17N3O4/c1-25-14-7-6-12(10-15(14)26-2)16-13(11-20)18(23)21-19(24)17(16)22-8-4-3-5-9-22/h3-10,16-17H,1-2H3,(H-,21,23,24)/p+1/t16-,17-/m1/s1