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

Systemtic Name: 2-[(5-cyclohexylsulfanyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine hydrochloride Openeye Name: 2-[(5-cyclohexylsulfanyl-2,3-dihydrobenzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine hydrochloride CAS Name: 2-[[5-(cyclohexylthio)-2,3-dihydrobenzofuran-7-yl]methyl]-2-phenyl-1-piperidinamine hydrochloride IUPAC Name: 2-[(5-cyclohexylsulfanyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine hydrochloride Traditional Name: [2-[[5-(cyclohexylthio)coumaran-7-yl]methyl]-2-phenyl-piperidino]amine hydrochloride Formula: C26H35ClN2OS MolecularWeight: 459.0869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CC(=C3C(=C2)CCO3)CC4(CCCCN4N)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CCC(CC1)SC2=CC(=C3C(=C2)CCO3)CC4(CCCCN4N)C5=CC=CC=C5.Cl

InChI

InChI=1S/C26H34N2OS.ClH/c27-28-15-8-7-14-26(28,22-9-3-1-4-10-22)19-21-18-24(17-20-13-16-29-25(20)21)30-23-11-5-2-6-12-23;/h1,3-4,9-10,17-18,23H,2,5-8,11-16,19,27H2;1H