N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazin-1-iumyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-piperonyloylpiperazin-1-ium-1-yl)ethyl]-piperonylamide Formula: C22H24N3O6+ MolecularWeight: 426.44246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O6/c26-21(15-1-3-17-19(11-15)30-13-28-17)23-5-6-24-7-9-25(10-8-24)22(27)16-2-4-18-20(12-16)31-14-29-18/h1-4,11-12H,5-10,13-14H2,(H,23,26)/p+1