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

Systemtic Name: 2-[3-[3-(piperidin-1-ylmethylsulfanyl)phenoxy]propyl]isoindole-1,3-dione hydrobromide Openeye Name: 2-[3-[3-(1-piperidylmethylsulfanyl)phenoxy]propyl]isoindoline-1,3-dione hydrobromide CAS Name: 2-[3-[3-(1-piperidinylmethylthio)phenoxy]propyl]isoindole-1,3-dione hydrobromide IUPAC Name: 2-[3-[3-(piperidin-1-ylmethylsulfanyl)phenoxy]propyl]isoindole-1,3-dione hydrobromide Traditional Name: 2-[3-[3-(piperidinomethylthio)phenoxy]propyl]isoindoline-1,3-quinone hydrobromide Formula: C23H27BrN2O3S MolecularWeight: 491.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CSC2=CC=CC(=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O.Br

Isomeric SMILES

C1CCN(CC1)CSC2=CC=CC(=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O.Br

InChI

InChI=1S/C23H26N2O3S.BrH/c26-22-20-10-2-3-11-21(20)23(27)25(22)14-7-15-28-18-8-6-9-19(16-18)29-17-24-12-4-1-5-13-24;/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2;1H