3-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 3-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 3-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-[2-[(4-fluorophenyl)thio]ethyl]-2-methyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 3-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-[2-[(4-fluorophenyl)thio]ethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C22H26ClFN2OS MolecularWeight: 420.971043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=C(C=C3)F)C4CCNCC4.Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=C(C=C3)F)C4CCNCC4.Cl

InChI

InChI=1S/C22H25FN2OS.ClH/c1-25-21(26)19-4-2-3-5-20(19)22(25,16-10-13-24-14-11-16)12-15-27-18-8-6-17(23)7-9-18;/h2-9,16,24H,10-15H2,1H3;1H