2-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H20N4O2/c24-18-16-3-1-2-4-17(16)19(25)23(18)14-22-11-9-21(10-12-22)13-15-5-7-20-8-6-15/h1-8H,9-14H2/p+1