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

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C18H18N5OS2+ MolecularWeight: 384.49842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C18H17N5OS2/c1-2-5-14-13(4-1)19-18(26-14)23-9-7-22(8-10-23)12-16-20-17(21-24-16)15-6-3-11-25-15/h1-6,11H,7-10,12H2/p+1