3-(piperidin-1-ium-1-ylmethyl)-5-(2-pyridin-2-ylquinolin-4-yl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-(piperidin-1-ium-1-ylmethyl)-5-(2-pyridin-2-ylquinolin-4-yl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)-5-[2-(2-pyridyl)-4-quinolyl]-1,3,4-oxadiazole-2-thione CAS Name: 3-(1-piperidin-1-iumylmethyl)-5-[2-(2-pyridinyl)-4-quinolinyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(piperidin-1-ium-1-ylmethyl)-5-(2-pyridin-2-ylquinolin-4-yl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)-5-[2-(2-pyridyl)-4-quinolyl]-1,3,4-oxadiazole-2-thione Formula: C22H22N5OS+ MolecularWeight: 404.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C22H21N5OS/c29-22-27(15-26-12-6-1-7-13-26)25-21(28-22)17-14-20(19-10-4-5-11-23-19)24-18-9-3-2-8-16(17)18/h2-5,8-11,14H,1,6-7,12-13,15H2/p+1