(2R,3R,4S)-4-(3,4-dichlorophenyl)-2-oxidanyl-2-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (2R,3R,4S)-4-(3,4-dichlorophenyl)-2-oxidanyl-2-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3R,4S)-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3R,4S)-4-(3,4-dichlorophenyl)-2-hydroxy-6-mercapto-2-phenyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3R,4S)-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3R,4S)-4-(3,4-dichlorophenyl)-2-hydroxy-6-mercapto-2-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C23H18Cl2N3OS+ MolecularWeight: 455.37952

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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=CC=C4)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=CC=C4)O

InChI

InChI=1S/C23H17Cl2N3OS/c24-18-10-9-15(13-19(18)25)20-17(14-26)22(30)27-23(29,16-7-3-1-4-8-16)21(20)28-11-5-2-6-12-28/h1-13,20-21,27,29H/p+1/t20-,21+,23+/m0/s1