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

Systemtic Name: 2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione chloride Openeye Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]isoindoline-1,3-dione chloride CAS Name: 2-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]isoindole-1,3-dione chloride IUPAC Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]isoindole-1,3-dione chloride Traditional Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]isoindoline-1,3-quinone chloride Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Cl-]

InChI

InChI=1S/C23H25N3O3.ClH/c27-21(25-15-13-24(14-16-25)17-18-7-2-1-3-8-18)11-6-12-26-22(28)19-9-4-5-10-20(19)23(26)29;/h1-5,7-10H,6,11-17H2;1H