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

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C18H20N4O2+2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H18N4O2/c23-17-14-5-1-2-6-15(14)18(24)22(17)13-20-9-11-21(12-10-20)16-7-3-4-8-19-16/h1-8H,9-13H2/p+2