(6R,7R)-6,7-diphenyl-4-piperidin-1-ium-1-yl-bicyclo[2.2.2]octan-2-one thiocyanate

Systemtic Name: (6R,7R)-6,7-diphenyl-4-piperidin-1-ium-1-yl-bicyclo[2.2.2]octan-2-one thiocyanate Openeye Name: (6R,7R)-6,7-diphenyl-4-piperidin-1-ium-1-yl-bicyclo[2.2.2]octan-2-one thiocyanate CAS Name: (6R,7R)-6,7-diphenyl-4-(1-piperidin-1-iumyl)-2-bicyclo[2.2.2]octanone thiocyanate IUPAC Name: (6R,7R)-6,7-diphenyl-4-piperidin-1-ium-1-ylbicyclo[2.2.2]octan-2-one thiocyanate Traditional Name: (6R,7R)-6,7-diphenyl-4-piperidin-1-ium-1-yl-bicyclo[2.2.2]octan-2-one thiocyanate Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C23CC(C(C(C2)C4=CC=CC=C4)C(=O)C3)C5=CC=CC=C5.C(#N)[S-]

Isomeric SMILES

C1CC[NH+](CC1)C23C[C@H](C([C@@H](C2)C4=CC=CC=C4)C(=O)C3)C5=CC=CC=C5.C(#N)[S-]

InChI

InChI=1S/C25H29NO.CHNS/c27-23-18-25(26-14-8-3-9-15-26)16-21(19-10-4-1-5-11-19)24(23)22(17-25)20-12-6-2-7-13-20;2-1-3/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2;3H/t21-,22-,24?,25?;/m0./s1