2-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[2-hydroxy-3-(4-phenylpiperazino)propyl]isoindoline-1,3-quinone hydrochloride Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H23N3O3.ClH/c25-17(15-24-20(26)18-8-4-5-9-19(18)21(24)27)14-22-10-12-23(13-11-22)16-6-2-1-3-7-16;/h1-9,17,25H,10-15H2;1H