3-propan-2-yl-5-[6-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-propan-2-yl-5-[6-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-isopropyl-5-[6-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-3-pyridyl]-1,2,4-oxadiazole CAS Name: 3-propan-2-yl-5-[6-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-3-pyridinyl]-1,2,4-oxadiazole IUPAC Name: 3-propan-2-yl-5-[6-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]-1,2,4-oxadiazole Traditional Name: 3-isopropyl-5-[6-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-3-pyridyl]-1,2,4-oxadiazole Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC(C)C1=NOC(=N1)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C20H24N6O/c1-15(2)19-23-20(27-24-19)16-6-7-18(22-13-16)26-11-9-25(10-12-26)14-17-5-3-4-8-21-17/h3-8,13,15H,9-12,14H2,1-2H3/p+1