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

Systemtic Name: 3-(3-bromophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(3-bromophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(3-bromophenyl)-5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-bromophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(3-bromophenyl)-5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C17H18BrN6O+ MolecularWeight: 402.26842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6O/c18-14-4-1-3-13(11-14)16-21-15(25-22-16)12-23-7-9-24(10-8-23)17-19-5-2-6-20-17/h1-6,11H,7-10,12H2/p+1