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

Systemtic Name: 3-phenyl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-(3-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O/c1-2-6-17(7-3-1)19-21-18(25-22-19)15-24-11-9-23(10-12-24)14-16-5-4-8-20-13-16/h1-8,13H,9-12,14-15H2/p+1