2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(3,4-dichlorobenzyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C20H20Cl2N3O2+ MolecularWeight: 405.2977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)Cl)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)Cl)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H19Cl2N3O2/c21-17-6-5-14(11-18(17)22)12-23-7-9-24(10-8-23)13-25-19(26)15-3-1-2-4-16(15)20(25)27/h1-6,11H,7-10,12-13H2/p+1