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

Systemtic Name: 3-(3-bromophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(3-bromophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(3-bromophenyl)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-bromophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(3-bromophenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C19H20BrN4O+ MolecularWeight: 400.2923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O/c20-16-6-4-5-15(13-16)19-21-18(25-22-19)14-23-9-11-24(12-10-23)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2/p+1