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

Systemtic Name: 2-[4-(1-oxidanidyl-4-phenyl-piperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-oxido-4-phenyl-piperazin-1-ium-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(1-oxido-4-phenyl-1-piperazin-1-iumyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-oxido-4-phenylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(1-oxido-4-phenyl-piperazin-1-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=CC=CC=C2)(CCCCN3C(=O)C4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

C1C[N+](CCN1C2=CC=CC=C2)(CCCCN3C(=O)C4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C22H25N3O3/c26-21-19-10-4-5-11-20(19)22(27)24(21)12-6-7-15-25(28)16-13-23(14-17-25)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2