(3R,4S,5S,6S)-4-(2-bromophenyl)-6-oxidanyl-6-phenyl-5-pyridin-1-ium-1-yl-2-sulfanylidene-piperidine-3-carbonitrile

Systemtic Name: (3R,4S,5S,6S)-4-(2-bromophenyl)-6-oxidanyl-6-phenyl-5-pyridin-1-ium-1-yl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3R,4S,5S,6S)-4-(2-bromophenyl)-6-hydroxy-6-phenyl-5-pyridin-1-ium-1-yl-2-thioxo-piperidine-3-carbonitrile CAS Name: (3R,4S,5S,6S)-4-(2-bromophenyl)-6-hydroxy-6-phenyl-5-(1-pyridin-1-iumyl)-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3R,4S,5S,6S)-4-(2-bromophenyl)-6-hydroxy-6-phenyl-5-pyridin-1-ium-1-yl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3R,4S,5S,6S)-4-(2-bromophenyl)-6-hydroxy-6-phenyl-5-pyridin-1-ium-1-yl-2-thioxo-nipecotonitrile 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(=S)N2)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@@H](C(=S)N2)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/h1-14,18,20-21,28H/p+1/t18-,20+,21-,23-/m0/s1