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

Systemtic Name: 3-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(2-pyridin-2-ylquinolin-4-yl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-5-[2-(2-pyridyl)-4-quinolyl]-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]-5-[2-(2-pyridinyl)-4-quinolinyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(2-pyridin-2-ylquinolin-4-yl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-5-[2-(2-pyridyl)-4-quinolyl]-1,3,4-oxadiazole-2-thione Formula: C27H26N7OS+ MolecularWeight: 496.60664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)CC6=CC=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5)CC6=CC=CC=N6

InChI

InChI=1S/C27H25N7OS/c36-27-34(19-33-15-13-32(14-16-33)18-20-7-3-5-11-28-20)31-26(35-27)22-17-25(24-10-4-6-12-29-24)30-23-9-2-1-8-21(22)23/h1-12,17H,13-16,18-19H2/p+1