2-[3-[(3R,4S)-5-cyano-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-4-yl]phenoxy]ethanamide

Systemtic Name: 2-[3-[(3R,4S)-5-cyano-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-4-yl]phenoxy]ethanamide Openeye Name: 2-[3-[(3R,4S)-5-cyano-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-4-yl]phenoxy]acetamide CAS Name: 2-[3-[(3R,4S)-5-cyano-6-hydroxy-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-4-yl]phenoxy]acetamide IUPAC Name: 2-[3-[(3R,4S)-5-cyano-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-4-yl]phenoxy]acetamide Traditional Name: 2-[3-[(3R,4S)-5-cyano-6-hydroxy-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-4-yl]phenoxy]acetamide Formula: C19H17N4O4+ MolecularWeight: 365.36268

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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(=CC=C3)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4/c20-10-14-16(12-5-4-6-13(9-12)27-11-15(21)24)17(19(26)22-18(14)25)23-7-2-1-3-8-23/h1-9,16-17H,11H2,(H3-,21,22,24,25,26)/p+1/t16-,17+/m0/s1