2-phenyl-2-[[5-(trifluoromethylsulfanyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]piperidin-1-amine hydrochloride

Systemtic Name: 2-phenyl-2-[[5-(trifluoromethylsulfanyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]piperidin-1-amine hydrochloride Openeye Name: 2-phenyl-2-[[5-(trifluoromethylsulfanyl)-2,3-dihydrobenzofuran-7-yl]methyl]piperidin-1-amine hydrochloride CAS Name: 2-phenyl-2-[[5-(trifluoromethylthio)-2,3-dihydrobenzofuran-7-yl]methyl]-1-piperidinamine hydrochloride IUPAC Name: 2-phenyl-2-[[5-(trifluoromethylsulfanyl)-2,3-dihydro-1-benzofuran-7-yl]methyl]piperidin-1-amine hydrochloride Traditional Name: [2-phenyl-2-[[5-(trifluoromethylthio)coumaran-7-yl]methyl]piperidino]amine hydrochloride Formula: C21H24ClF3N2OS MolecularWeight: 444.94127

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(CC2=C3C(=CC(=C2)SC(F)(F)F)CCO3)C4=CC=CC=C4)N.Cl

Isomeric SMILES

C1CCN(C(C1)(CC2=C3C(=CC(=C2)SC(F)(F)F)CCO3)C4=CC=CC=C4)N.Cl

InChI

InChI=1S/C21H23F3N2OS.ClH/c22-21(23,24)28-18-12-15-8-11-27-19(15)16(13-18)14-20(9-4-5-10-26(20)25)17-6-2-1-3-7-17;/h1-3,6-7,12-13H,4-5,8-11,14,25H2;1H