2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H25N3O2+2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O2/c1-16-6-2-3-7-17(16)14-22-10-12-23(13-11-22)15-24-20(25)18-8-4-5-9-19(18)21(24)26/h2-9H,10-15H2,1H3/p+2