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

Systemtic Name: 2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]isoindole-1,3-dione chloride Openeye Name: 2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]isoindoline-1,3-dione chloride CAS Name: 2-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]isoindole-1,3-dione chloride IUPAC Name: 2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]isoindole-1,3-dione chloride Traditional Name: 2-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]isoindoline-1,3-quinone chloride Formula: C20H18ClN3O2 MolecularWeight: 367.82882

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3O2.ClH/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;1H/q+1;/p-1