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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-phenyl-5-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1,3,4-oxadiazole Formula: C21H24N4O3+2 MolecularWeight: 380.44026

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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-2-4-17(5-3-1)21-23-22-20(28-21)14-25-10-8-24(9-11-25)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2/p+2