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

Systemtic Name: 2-[4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O2/c23-19-9-3-4-10-20(19)25-15-13-24(14-16-25)11-5-6-12-26-21(27)17-7-1-2-8-18(17)22(26)28/h1-4,7-10H,5-6,11-16H2/p+1