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

Systemtic Name: 2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione chloride Openeye Name: 2-[1-benzyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione chloride CAS Name: 2-[1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione chloride IUPAC Name: 2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione chloride Traditional Name: 2-[1-benzyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone chloride Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O.[Cl-]

InChI

InChI=1S/C23H25N3O4.ClH/c27-15-14-24-10-12-25(13-11-24)23(30)20(16-17-6-2-1-3-7-17)26-21(28)18-8-4-5-9-19(18)22(26)29;/h1-9,20,27H,10-16H2;1H