(3R,4R,5R,6R)-3-cyano-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-6-oxidanyl-4-phenyl-4,5-dihydro-3H-pyridine-2-thiolate

Systemtic Name: (3R,4R,5R,6R)-3-cyano-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-6-oxidanyl-4-phenyl-4,5-dihydro-3H-pyridine-2-thiolate Openeye Name: (3R,4R,5R,6R)-3-cyano-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-phenyl-4,5-dihydro-3H-pyridine-2-thiolate CAS Name: (3R,4R,5R,6R)-3-cyano-6-hydroxy-6-methyl-5-(2-methyl-1-pyridin-1-iumyl)-4-phenyl-4,5-dihydro-3H-pyridine-2-thiolate IUPAC Name: (3R,4R,5R,6R)-3-cyano-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-phenyl-4,5-dihydro-3H-pyridine-2-thiolate Traditional Name: (3R,4R,5R,6R)-3-cyano-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-phenyl-4,5-dihydro-3H-pyridine-2-thiolate Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C2C(C(C(=NC2(C)O)[S-])C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=[N+]1[C@@H]2[C@H]([C@@H](C(=N[C@]2(C)O)[S-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS/c1-13-8-6-7-11-22(13)17-16(14-9-4-3-5-10-14)15(12-20)18(24)21-19(17,2)23/h3-11,15-17,23H,1-2H3/t15-,16-,17+,19+/m0/s1