5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C21H23N5OS+2 MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N5OS/c1-2-6-16(7-3-1)21-23-19(27-24-21)14-25-10-12-26(13-11-25)15-20-22-17-8-4-5-9-18(17)28-20/h1-9H,10-15H2/p+2