2-[7-oxidanylidene-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]heptyl]isoindole-1,3-dione chloride

Systemtic Name: 2-[7-oxidanylidene-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]heptyl]isoindole-1,3-dione chloride Openeye Name: 2-[7-(4-benzylpiperazin-4-ium-1-yl)-7-oxo-heptyl]isoindoline-1,3-dione chloride CAS Name: 2-[7-oxo-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]heptyl]isoindole-1,3-dione chloride IUPAC Name: 2-[7-(4-benzylpiperazin-4-ium-1-yl)-7-oxoheptyl]isoindole-1,3-dione chloride Traditional Name: 2-[7-(4-benzylpiperazin-4-ium-1-yl)-7-keto-heptyl]isoindoline-1,3-quinone chloride Formula: C26H32ClN3O3 MolecularWeight: 470.00358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCCCCN3C(=O)C4=CC=CC=C4C3=O.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCCCCN3C(=O)C4=CC=CC=C4C3=O.[Cl-]

InChI

InChI=1S/C26H31N3O3.ClH/c30-24(28-18-16-27(17-19-28)20-21-10-4-3-5-11-21)14-6-1-2-9-15-29-25(31)22-12-7-8-13-23(22)26(29)32;/h3-5,7-8,10-13H,1-2,6,9,14-20H2;1H