3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-(2-pyridin-2-ylquinolin-4-yl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-(2-pyridin-2-ylquinolin-4-yl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-[2-(2-pyridyl)-4-quinolyl]-1,3,4-oxadiazole-2-thione CAS Name: 3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-[2-(2-pyridinyl)-4-quinolinyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(2-pyridin-2-ylquinolin-4-yl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-[2-(2-pyridyl)-4-quinolyl]-1,3,4-oxadiazole-2-thione Formula: C22H22N5O2S+ MolecularWeight: 420.50738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)OC(=N2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)OC(=N2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)O

InChI

InChI=1S/C22H21N5O2S/c28-15-6-5-11-26(13-15)14-27-22(30)29-21(25-27)17-12-20(19-9-3-4-10-23-19)24-18-8-2-1-7-16(17)18/h1-4,7-10,12,15,28H,5-6,11,13-14H2/p+1/t15-/m1/s1