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

Systemtic Name: (3S,4R,5R,6R)-5-(6-chloranylquinolin-1-ium-1-yl)-6-oxidanyl-6-phenyl-4-pyridin-3-yl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3S,4R,5R,6R)-5-(6-chloroquinolin-1-ium-1-yl)-6-hydroxy-6-phenyl-4-(3-pyridyl)-2-thioxo-piperidine-3-carbonitrile CAS Name: (3S,4R,5R,6R)-5-(6-chloro-1-quinolin-1-iumyl)-6-hydroxy-6-phenyl-4-(3-pyridinyl)-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3S,4R,5R,6R)-5-(6-chloroquinolin-1-ium-1-yl)-6-hydroxy-6-phenyl-4-pyridin-3-yl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3S,4R,5R,6R)-5-(6-chloroquinolin-1-ium-1-yl)-6-hydroxy-6-phenyl-4-(3-pyridyl)-2-thioxo-nipecotonitrile Formula: C26H20ClN4OS+ MolecularWeight: 471.9812

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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=CN=CC=C3)[N+]4=CC=CC5=C4C=CC(=C5)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)[C@]2([C@@H]([C@H]([C@H](C(=S)N2)C#N)C3=CN=CC=C3)[N+]4=CC=CC5=C4C=CC(=C5)Cl)O

InChI

InChI=1S/C26H19ClN4OS/c27-20-10-11-22-17(14-20)7-5-13-31(22)24-23(18-6-4-12-29-16-18)21(15-28)25(33)30-26(24,32)19-8-2-1-3-9-19/h1-14,16,21,23-24,32H/p+1/t21-,23+,24-,26-/m1/s1