2-[2-[3-(piperidin-1-ylmethylsulfanyl)phenoxy]ethyl]isoindole-1,3-dione hydrobromide

Systemtic Name: 2-[2-[3-(piperidin-1-ylmethylsulfanyl)phenoxy]ethyl]isoindole-1,3-dione hydrobromide Openeye Name: 2-[2-[3-(1-piperidylmethylsulfanyl)phenoxy]ethyl]isoindoline-1,3-dione hydrobromide CAS Name: 2-[2-[3-(1-piperidinylmethylthio)phenoxy]ethyl]isoindole-1,3-dione hydrobromide IUPAC Name: 2-[2-[3-(piperidin-1-ylmethylsulfanyl)phenoxy]ethyl]isoindole-1,3-dione hydrobromide Traditional Name: 2-[2-[3-(piperidinomethylthio)phenoxy]ethyl]isoindoline-1,3-quinone hydrobromide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CSC2=CC=CC(=C2)OCCN3C(=O)C4=CC=CC=C4C3=O.Br

Isomeric SMILES

C1CCN(CC1)CSC2=CC=CC(=C2)OCCN3C(=O)C4=CC=CC=C4C3=O.Br

InChI

InChI=1S/C22H24N2O3S.BrH/c25-21-19-9-2-3-10-20(19)22(26)24(21)13-14-27-17-7-6-8-18(15-17)28-16-23-11-4-1-5-12-23;/h2-3,6-10,15H,1,4-5,11-14,16H2;1H