2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C22H22N3O5+ MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H21N3O5/c26-20(13-25-21(27)16-3-1-2-4-17(16)22(25)28)24-9-7-23(8-10-24)12-15-5-6-18-19(11-15)30-14-29-18/h1-6,11H,7-10,12-14H2/p+1