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

Systemtic Name: 2-[1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione chloride Openeye Name: 2-[1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione chloride CAS Name: 2-[1-(4-methyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]isoindole-1,3-dione chloride IUPAC Name: 2-[1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione chloride Traditional Name: 2-[2-keto-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl]isoindoline-1,3-quinone chloride Formula: C16H20ClN3O3 MolecularWeight: 337.8013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C)N2C(=O)C3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

CC(C(=O)N1CC[NH+](CC1)C)N2C(=O)C3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C16H19N3O3.ClH/c1-11(14(20)18-9-7-17(2)8-10-18)19-15(21)12-5-3-4-6-13(12)16(19)22;/h3-6,11H,7-10H2,1-2H3;1H