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

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-(4-piperonylpiperazin-4-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C24H26N3O5+ MolecularWeight: 436.48034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H25N3O5/c28-22(6-3-9-27-23(29)18-4-1-2-5-19(18)24(27)30)26-12-10-25(11-13-26)15-17-7-8-20-21(14-17)32-16-31-20/h1-2,4-5,7-8,14H,3,6,9-13,15-16H2/p+1