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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(1H-indol-3-yl)ethane-1,2-dione IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione Traditional Name: 1-(1H-indol-3-yl)-2-(4-piperonylpiperazin-4-ium-1-yl)ethane-1,2-dione Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H21N3O4/c26-21(17-12-23-18-4-2-1-3-16(17)18)22(27)25-9-7-24(8-10-25)13-15-5-6-19-20(11-15)29-14-28-19/h1-6,11-12,23H,7-10,13-14H2/p+1