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

Systemtic Name: (2R,3R,4S)-5-cyano-2-methyl-3-(2-methylpyridin-1-ium-1-yl)-2-oxidanyl-4-phenyl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-3-(2-methylpyridin-1-ium-1-yl)-4-phenyl-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-3-(2-methyl-1-pyridin-1-iumyl)-4-phenyl-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-3-(2-methylpyridin-1-ium-1-yl)-4-phenyl-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-3-(2-methylpyridin-1-ium-1-yl)-4-phenyl-3,4-dihydro-1H-pyridine-6-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(=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/h3-11,16-17,21,23H,1-2H3/t16-,17+,19+/m0/s1