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

Systemtic Name: 2-[(5-ethylsulfanyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine hydrochloride Openeye Name: 2-[(5-ethylsulfanyl-2,3-dihydrobenzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine hydrochloride CAS Name: 2-[[5-(ethylthio)-2,3-dihydrobenzofuran-7-yl]methyl]-2-phenyl-1-piperidinamine hydrochloride IUPAC Name: 2-[(5-ethylsulfanyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine hydrochloride Traditional Name: [2-[[5-(ethylthio)coumaran-7-yl]methyl]-2-phenyl-piperidino]amine hydrochloride Formula: C22H29ClN2OS MolecularWeight: 404.99646

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C2C(=C1)CCO2)CC3(CCCCN3N)C4=CC=CC=C4.Cl

Isomeric SMILES

CCSC1=CC(=C2C(=C1)CCO2)CC3(CCCCN3N)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H28N2OS.ClH/c1-2-26-20-14-17-10-13-25-21(17)18(15-20)16-22(11-6-7-12-24(22)23)19-8-4-3-5-9-19;/h3-5,8-9,14-15H,2,6-7,10-13,16,23H2,1H3;1H