1,2-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethane-1,2-dione

Systemtic Name: 1,2-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethane-1,2-dione Openeye Name: 1,2-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethane-1,2-dione CAS Name: 1,2-bis[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]ethane-1,2-dione IUPAC Name: 1,2-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethane-1,2-dione Traditional Name: 1,2-bis(4-piperonylpiperazin-4-ium-1-yl)ethane-1,2-dione Formula: C26H32N4O6+2 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H30N4O6/c31-25(29-9-5-27(6-10-29)15-19-1-3-21-23(13-19)35-17-33-21)26(32)30-11-7-28(8-12-30)16-20-2-4-22-24(14-20)36-18-34-22/h1-4,13-14H,5-12,15-18H2/p+2