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

Systemtic Name: (3S,4R)-4-(1-methylpyridin-1-ium-3-yl)-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3S,4R)-6-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3S,4R)-6-hydroxy-4-(1-methyl-3-pyridin-1-iumyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3S,4R)-6-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3S,4R)-6-hydroxy-2-keto-4-(1-methylpyridin-1-ium-3-yl)-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H16N4O2+2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2C(C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC(=C1)[C@H]2[C@@H](C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3

InChI

InChI=1S/C17H14N4O2/c1-20-7-5-6-12(11-20)14-13(10-18)16(22)19-17(23)15(14)21-8-3-2-4-9-21/h2-9,11,14-15H,1H3/p+2/t14-,15+/m1/s1