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

Systemtic Name: (3R,4S)-5-cyano-4-(3-methoxyphenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: (3R,4S)-5-cyano-4-(3-methoxyphenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate CAS Name: (3R,4S)-5-cyano-4-(3-methoxyphenyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: (3R,4S)-5-cyano-4-(3-methoxyphenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: (3R,4S)-5-cyano-2-keto-4-(3-methoxyphenyl)-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3/c1-24-13-7-5-6-12(10-13)15-14(11-19)17(22)20-18(23)16(15)21-8-3-2-4-9-21/h2-10,15-16H,1H3,(H-,20,22,23)/t15-,16+/m0/s1