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

Systemtic Name: (3S,4R,5R,6R)-5-(6-chloranylquinolin-1-ium-1-yl)-6-oxidanyl-6-phenyl-2-sulfanylidene-4-thiophen-3-yl-piperidine-3-carbonitrile Openeye Name: (3S,4R,5R,6R)-5-(6-chloroquinolin-1-ium-1-yl)-6-hydroxy-6-phenyl-4-(3-thienyl)-2-thioxo-piperidine-3-carbonitrile CAS Name: (3S,4R,5R,6R)-5-(6-chloro-1-quinolin-1-iumyl)-6-hydroxy-6-phenyl-2-sulfanylidene-4-(3-thiophenyl)-3-piperidinecarbonitrile IUPAC Name: (3S,4R,5R,6R)-5-(6-chloroquinolin-1-ium-1-yl)-6-hydroxy-6-phenyl-2-sulfanylidene-4-thiophen-3-ylpiperidine-3-carbonitrile Traditional Name: (3S,4R,5R,6R)-5-(6-chloroquinolin-1-ium-1-yl)-6-hydroxy-6-phenyl-4-(3-thienyl)-2-thioxo-nipecotonitrile Formula: C25H19ClN3OS2+ MolecularWeight: 477.02086

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

InChI

InChI=1S/C25H18ClN3OS2/c26-19-8-9-21-16(13-19)5-4-11-29(21)23-22(17-10-12-32-15-17)20(14-27)24(31)28-25(23,30)18-6-2-1-3-7-18/h1-13,15,20,22-23,30H/p+1/t20-,22+,23-,25-/m1/s1