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

Systemtic Name: 2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O2/c1-15-5-4-6-16(13-15)22-11-9-21(10-12-22)14-23-19(24)17-7-2-3-8-18(17)20(23)25/h2-8,13H,9-12,14H2,1H3/p+1