2-[1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]isoindole-1,3-dione chloride

Systemtic Name: 2-[1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]isoindole-1,3-dione chloride Openeye Name: 2-[1-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione chloride CAS Name: 2-[1-oxo-3-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]isoindole-1,3-dione chloride IUPAC Name: 2-[1-(4-benzylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione chloride Traditional Name: 2-[1-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]isoindoline-1,3-quinone chloride Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O.[Cl-]

InChI

InChI=1S/C28H27N3O3.ClH/c32-26-23-13-7-8-14-24(23)27(33)31(26)25(19-21-9-3-1-4-10-21)28(34)30-17-15-29(16-18-30)20-22-11-5-2-6-12-22;/h1-14,25H,15-20H2;1H