2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]isoindoline-1,3-quinone Formula: C22H27N3O3+2 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O3/c1-16-7-8-20(28-2)17(13-16)14-23-9-11-24(12-10-23)15-25-21(26)18-5-3-4-6-19(18)22(25)27/h3-8,13H,9-12,14-15H2,1-2H3/p+2