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

Systemtic Name: 2-[4-[[5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[5-(5-bromo-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C17H18BrN4O2S+ MolecularWeight: 422.31942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=C(S3)Br)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=C(S3)Br)C4=CC=CC=C4O

InChI

InChI=1S/C17H17BrN4O2S/c18-15-6-5-14(25-15)17-20-19-16(24-17)11-21-7-9-22(10-8-21)12-3-1-2-4-13(12)23/h1-6,23H,7-11H2/p+1