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

Systemtic Name: 5-[[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(3-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(3-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=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)CC4=CN=CC=C4

InChI

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