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

Systemtic Name: (3R,4R)-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-4-thiophen-3-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4R)-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-4-(3-thienyl)-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4R)-6-hydroxy-2-oxo-3-(1-pyridin-1-iumyl)-4-(3-thiophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4R)-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-4-thiophen-3-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4R)-6-hydroxy-2-keto-3-pyridin-1-ium-1-yl-4-(3-thienyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C15H12N3O2S+ MolecularWeight: 298.33968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(=C(NC2=O)O)C#N)C3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O2S/c16-8-11-12(10-4-7-21-9-10)13(15(20)17-14(11)19)18-5-2-1-3-6-18/h1-7,9,12-13H,(H-,17,19,20)/p+1/t12-,13+/m0/s1