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

Systemtic Name: 2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]isoindole-1,3-dione chloride Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione chloride CAS Name: 2-[1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]isoindole-1,3-dione chloride IUPAC Name: 2-[1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione chloride Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]isoindoline-1,3-quinone chloride Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O.[Cl-]

Isomeric SMILES

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O.[Cl-]

InChI

InChI=1S/C22H23N3O3.ClH/c1-16(25-21(27)18-9-5-6-10-19(18)22(25)28)20(26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17;/h2-10,16H,11-15H2,1H3;1H