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

Systemtic Name: 2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione chloride Openeye Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione chloride CAS Name: 2-[1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]isoindole-1,3-dione chloride IUPAC Name: 2-[1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione chloride Traditional Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]isoindoline-1,3-quinone chloride Formula: C17H22ClN3O4 MolecularWeight: 367.82728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4.ClH/c1-12(15(22)19-8-6-18(7-9-19)10-11-21)20-16(23)13-4-2-3-5-14(13)17(20)24;/h2-5,12,21H,6-11H2,1H3;1H