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

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(5-bromo-2-thienyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(5-bromo-2-thiophenyl)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(5-bromothiophen-2-yl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(5-bromo-2-thienyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C17H18BrN4OS+ MolecularWeight: 406.32002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4OS/c18-15-7-6-14(24-15)17-20-19-16(23-17)12-21-8-10-22(11-9-21)13-4-2-1-3-5-13/h1-7H,8-12H2/p+1