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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazole CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole Traditional Name: 2-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazole Formula: C19H22N4O3S+2 MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=NN=C(O4)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=NN=C(O4)C5=CC=CS5

InChI

InChI=1S/C19H20N4O3S/c1-2-17(27-9-1)19-21-20-18(26-19)12-23-7-5-22(6-8-23)11-14-3-4-15-16(10-14)25-13-24-15/h1-4,9-10H,5-8,11-13H2/p+2