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

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione chloride Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butyl]isoindoline-1,3-dione chloride CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutyl]isoindole-1,3-dione chloride IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]isoindole-1,3-dione chloride Traditional Name: 2-[4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyl]isoindoline-1,3-quinone chloride Formula: C17H22ClN3O3 MolecularWeight: 351.82788

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C17H21N3O3.ClH/c1-18-9-11-19(12-10-18)15(21)7-4-8-20-16(22)13-5-2-3-6-14(13)17(20)23;/h2-3,5-6H,4,7-12H2,1H3;1H