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

Systemtic Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-oxidanyl-2-phenyl-3-quinolin-1-ium-1-yl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-quinolin-1-ium-1-yl-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-(1-quinolin-1-iumyl)-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-quinolin-1-ium-1-yl-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-quinolin-1-ium-1-yl-3,4-dihydro-1H-pyridine-6-thiolate Formula: C27H19Cl2N3OS MolecularWeight: 504.43026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(C(C(=C(N2)[S-])C#N)C3=CC(=C(C=C3)Cl)Cl)[N+]4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

C1=CC=C(C=C1)[C@]2([C@@H]([C@H](C(=C(N2)[S-])C#N)C3=CC(=C(C=C3)Cl)Cl)[N+]4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C27H19Cl2N3OS/c28-21-13-12-18(15-22(21)29)24-20(16-30)26(34)31-27(33,19-9-2-1-3-10-19)25(24)32-14-6-8-17-7-4-5-11-23(17)32/h1-15,24-25,31,33H/t24-,25+,27+/m0/s1