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

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole Traditional Name: 3-(3-chlorophenyl)-5-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1,2,4-oxadiazole Formula: C21H23ClN4O3+2 MolecularWeight: 414.88532

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3/c22-17-3-1-2-16(11-17)21-23-20(29-24-21)13-26-8-6-25(7-9-26)12-15-4-5-18-19(10-15)28-14-27-18/h1-5,10-11H,6-9,12-14H2/p+2