5-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C24H26N4OS+2 MolecularWeight: 418.55444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)28-15-13-27(14-16-28)18-22-25-24(26-29-22)21-12-7-17-30-21/h1-12,17,23H,13-16,18H2/p+2