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

Systemtic Name: [4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H20BrN4O2+ MolecularWeight: 428.3024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O2/c21-17-8-4-7-16(13-17)19-22-18(27-23-19)14-24-9-11-25(12-10-24)20(26)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1