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

Systemtic Name: 2-[[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-bromobenzyl)piperazin-4-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20BrN3O2/c21-18-8-4-1-5-15(18)13-22-9-11-23(12-10-22)14-24-19(25)16-6-2-3-7-17(16)20(24)26/h1-8H,9-14H2/p+1