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

Systemtic Name: (3S,4R)-4-(4-methylphenyl)-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3S,4R)-6-hydroxy-2-oxo-4-(p-tolyl)-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3S,4R)-6-hydroxy-4-(4-methylphenyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3S,4R)-6-hydroxy-4-(4-methylphenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3S,4R)-6-hydroxy-2-keto-4-(p-tolyl)-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H16N3O2+ MolecularWeight: 306.33854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2/c1-12-5-7-13(8-6-12)15-14(11-19)17(22)20-18(23)16(15)21-9-3-2-4-10-21/h2-10,15-16H,1H3,(H-,20,22,23)/p+1/t15-,16+/m1/s1