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

Systemtic Name: (3R,4R)-4-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4R)-6-hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4R)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4R)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4R)-6-hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H16N3O4+ MolecularWeight: 338.33734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-25-14-9-11(5-6-13(14)22)15-12(10-19)17(23)20-18(24)16(15)21-7-3-2-4-8-21/h2-9,15-16H,1H3,(H2-,20,22,23,24)/p+1/t15-,16-/m1/s1