2-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c27-21-19-5-1-2-6-20(19)22(28)25(21)12-4-3-11-23-13-15-24(16-14-23)17-7-9-18(10-8-17)26(29)30/h1-2,5-10H,3-4,11-16H2/p+1