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

Systemtic Name: 5-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC=N4

InChI

InChI=1S/C17H19N5OS/c1-2-6-18-14(4-1)12-21-7-9-22(10-8-21)13-16-19-17(20-23-16)15-5-3-11-24-15/h1-6,11H,7-10,12-13H2/p+1