5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C15H17N6OS+ MolecularWeight: 329.40008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C15H16N6OS/c1-3-12(23-10-1)14-18-13(22-19-14)11-20-6-8-21(9-7-20)15-16-4-2-5-17-15/h1-5,10H,6-9,11H2/p+1