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

Systemtic Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2/c21-16-5-3-4-15(12-16)13-22-8-10-23(11-9-22)14-24-19(25)17-6-1-2-7-18(17)20(24)26/h1-7,12H,8-11,13-14H2/p+1