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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C21H22N4O3/c1-2-4-17(5-3-1)21-22-20(28-23-21)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