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

Systemtic Name: 2-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]isoindoline-1,3-quinone Formula: C20H21N4O3+ MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N4O3/c25-18(23-13-11-22(12-14-23)17-7-3-4-9-21-17)8-10-24-19(26)15-5-1-2-6-16(15)20(24)27/h1-7,9H,8,10-14H2/p+1