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

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-(5-bromo-2-thienyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole CAS Name: 2-(5-bromo-2-thiophenyl)-5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(5-bromothiophen-2-yl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Traditional Name: 2-(5-bromo-2-thienyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Formula: C17H17BrN5O3S+ MolecularWeight: 451.31758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN5O3S/c18-15-6-5-14(27-15)17-20-19-16(26-17)11-21-7-9-22(10-8-21)12-1-3-13(4-2-12)23(24)25/h1-6H,7-11H2/p+1