2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H25N3O2/c1-16-6-5-9-20(17(16)2)24-13-10-23(11-14-24)12-15-25-21(26)18-7-3-4-8-19(18)22(25)27/h3-9H,10-15H2,1-2H3/p+1