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

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione chloride Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione chloride CAS Name: 2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]isoindole-1,3-dione chloride IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]isoindole-1,3-dione chloride Traditional Name: 2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]isoindoline-1,3-quinone chloride Formula: C15H18ClN3O3 MolecularWeight: 323.77472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C15H17N3O3.ClH/c1-16-6-8-17(9-7-16)13(19)10-18-14(20)11-4-2-3-5-12(11)15(18)21;/h2-5H,6-10H2,1H3;1H