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

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C17H18N5O2+ MolecularWeight: 324.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=NC=CC=N4

InChI

InChI=1S/C17H17N5O2/c23-15-13-4-1-2-5-14(13)16(24)22(15)12-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7H,8-12H2/p+1