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

Systemtic Name: 2-(3-chlorophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3-chlorophenyl)isoindoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3-chlorophenyl)isoindole-1,3-dione Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3-chlorophenyl)isoindoline-1,3-quinone Formula: C25H23ClN3O2+ MolecularWeight: 432.92202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC4=C3C(=O)N(C4=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC4=C3C(=O)N(C4=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H22ClN3O2/c26-19-8-4-9-20(16-19)29-24(30)21-10-5-11-22(23(21)25(29)31)28-14-12-27(13-15-28)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2/p+1