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

Systemtic Name: (3S,4R)-5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: (3S,4R)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate CAS Name: (3S,4R)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: (3S,4R)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: (3S,4R)-5-cyano-2-keto-4-p-phenetyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)NC(=C2C#N)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3/c1-2-25-14-8-6-13(7-9-14)16-15(12-20)18(23)21-19(24)17(16)22-10-4-3-5-11-22/h3-11,16-17H,2H2,1H3,(H-,21,23,24)/t16-,17+/m1/s1