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

Systemtic Name: 4-[4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C19H20BrN4O2+ MolecularWeight: 416.2917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O2/c20-15-3-1-2-14(12-15)19-21-18(26-22-19)13-23-8-10-24(11-9-23)16-4-6-17(25)7-5-16/h1-7,12,25H,8-11,13H2/p+1