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

Systemtic Name: 2-[7-(4-methylpiperazin-4-ium-1-yl)-7-oxidanylidene-heptyl]isoindole-1,3-dione chloride Openeye Name: 2-[7-(4-methylpiperazin-4-ium-1-yl)-7-oxo-heptyl]isoindoline-1,3-dione chloride CAS Name: 2-[7-(4-methyl-1-piperazin-4-iumyl)-7-oxoheptyl]isoindole-1,3-dione chloride IUPAC Name: 2-[7-(4-methylpiperazin-4-ium-1-yl)-7-oxoheptyl]isoindole-1,3-dione chloride Traditional Name: 2-[7-keto-7-(4-methylpiperazin-4-ium-1-yl)heptyl]isoindoline-1,3-quinone chloride Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCCCCN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCCCCN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C20H27N3O3.ClH/c1-21-12-14-22(15-13-21)18(24)10-4-2-3-7-11-23-19(25)16-8-5-6-9-17(16)20(23)26;/h5-6,8-9H,2-4,7,10-15H2,1H3;1H