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

Systemtic Name: (2R,3S,4R)-4-(2-bromophenyl)-2-oxidanyl-2-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3S,4R)-4-(2-bromophenyl)-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3S,4R)-4-(2-bromophenyl)-2-hydroxy-6-mercapto-2-phenyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3S,4R)-4-(2-bromophenyl)-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3S,4R)-4-(2-bromophenyl)-2-hydroxy-6-mercapto-2-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C23H19BrN3OS+ MolecularWeight: 465.38546

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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=CC=C3Br)[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=CC=C3Br)[N+]4=CC=CC=C4)O

InChI

InChI=1S/C23H18BrN3OS/c24-19-12-6-5-11-17(19)20-18(15-25)22(29)26-23(28,16-9-3-1-4-10-16)21(20)27-13-7-2-8-14-27/h1-14,20-21,26,28H/p+1/t20-,21-,23+/m0/s1