2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]isoindoline-1,3-quinone Formula: C20H18N3O2+ MolecularWeight: 332.37582

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N3O2/c1-21-10-11-22(14-21)12-15-6-8-16(9-7-15)13-23-19(24)17-4-2-3-5-18(17)20(23)25/h2-11,14H,12-13H2,1H3/q+1