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

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