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

Systemtic Name: 2-[4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]isoindoline-1,3-quinone Formula: C24H21N4O3+ MolecularWeight: 413.44854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H20N4O3/c29-22(27-15-13-26(14-16-27)18-9-11-25-12-10-18)17-5-7-19(8-6-17)28-23(30)20-3-1-2-4-21(20)24(28)31/h1-12H,13-16H2/p+1