4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C13H14BrN4O2+ MolecularWeight: 338.17986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC(=NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC(=NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C13H13BrN4O2/c14-10-3-1-2-9(6-10)13-16-12(20-17-13)8-18-5-4-15-11(19)7-18/h1-3,6H,4-5,7-8H2,(H,15,19)/p+1