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

Systemtic Name: (2R,3R,4S)-4-(4-bromophenyl)-2-oxidanyl-2-phenyl-3-quinolin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3R,4S)-4-(4-bromophenyl)-2-hydroxy-2-phenyl-3-quinolin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3R,4S)-4-(4-bromophenyl)-2-hydroxy-6-mercapto-2-phenyl-3-(1-quinolin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3R,4S)-4-(4-bromophenyl)-2-hydroxy-2-phenyl-3-quinolin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3R,4S)-4-(4-bromophenyl)-2-hydroxy-6-mercapto-2-phenyl-3-quinolin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C27H21BrN3OS+ MolecularWeight: 515.44414

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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)Br)[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)Br)[N+]4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C27H20BrN3OS/c28-21-14-12-19(13-15-21)24-22(17-29)26(33)30-27(32,20-9-2-1-3-10-20)25(24)31-16-6-8-18-7-4-5-11-23(18)31/h1-16,24-25,30,32H/p+1/t24-,25+,27+/m0/s1