2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-piperonylpiperazine-1,4-diium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C22H25N3O4+2 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O4/c26-21-17-3-1-2-4-18(17)22(27)25(21)12-11-23-7-9-24(10-8-23)14-16-5-6-19-20(13-16)29-15-28-19/h1-6,13H,7-12,14-15H2/p+2