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

Systemtic Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H27N3O2+2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O2/c1-17-6-2-3-7-18(17)16-24-12-10-23(11-13-24)14-15-25-21(26)19-8-4-5-9-20(19)22(25)27/h2-9H,10-16H2,1H3/p+2