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

Systemtic Name: (3R,4R,5R,6R)-3-cyano-4-(4-methoxyphenyl)-6-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate Openeye Name: (3R,4R,5R,6R)-3-cyano-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate CAS Name: (3R,4R,5R,6R)-3-cyano-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-(1-pyridin-1-iumyl)-4,5-dihydro-3H-pyridine-2-thiolate IUPAC Name: (3R,4R,5R,6R)-3-cyano-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate Traditional Name: (3R,4R,5R,6R)-3-cyano-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C(=N1)[S-])C#N)C2=CC=C(C=C2)OC)[N+]3=CC=CC=C3)O

Isomeric SMILES

C[C@]1([C@@H]([C@H]([C@@H](C(=N1)[S-])C#N)C2=CC=C(C=C2)OC)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C19H19N3O2S/c1-19(23)17(22-10-4-3-5-11-22)16(15(12-20)18(25)21-19)13-6-8-14(24-2)9-7-13/h3-11,15-17,23H,1-2H3/t15-,16-,17+,19+/m0/s1