2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]isoindoline-1,3-quinone Formula: C19H19N4O3+ MolecularWeight: 351.37916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H18N4O3/c24-17(13-23-18(25)14-5-1-2-6-15(14)19(23)26)22-11-9-21(10-12-22)16-7-3-4-8-20-16/h1-8H,9-13H2/p+1