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

Systemtic Name: 5-[[4-(5-chloranylpyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(5-chloro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(5-chloro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(5-chloropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(5-chloro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole Formula: C17H18ClN6O+ MolecularWeight: 357.81742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=N3)C4=NC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=N3)C4=NC=C(C=C4)Cl

InChI

InChI=1S/C17H17ClN6O/c18-13-4-5-15(20-11-13)24-9-7-23(8-10-24)12-16-21-17(22-25-16)14-3-1-2-6-19-14/h1-6,11H,7-10,12H2/p+1