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

Systemtic Name: 2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c26-21-19-10-4-5-11-20(19)22(27)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2/p+1