2-(3,4-dihydro-2H-thiochromen-6-yl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone hydrochloride

Systemtic Name: 2-(3,4-dihydro-2H-thiochromen-6-yl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone hydrochloride Openeye Name: 1-[2-(pyrrolidin-1-ylmethyl)-1-piperidyl]-2-thiochroman-6-yl-ethanone hydrochloride CAS Name: 2-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone hydrochloride IUPAC Name: 2-(3,4-dihydro-2H-thiochromen-6-yl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone hydrochloride Traditional Name: 1-[2-(pyrrolidinomethyl)piperidino]-2-thiochroman-6-yl-ethanone hydrochloride Formula: C21H31ClN2OS MolecularWeight: 395.00164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC4=C(C=C3)SCCC4.Cl

Isomeric SMILES

C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC4=C(C=C3)SCCC4.Cl

InChI

InChI=1S/C21H30N2OS.ClH/c24-21(15-17-8-9-20-18(14-17)6-5-13-25-20)23-12-2-1-7-19(23)16-22-10-3-4-11-22;/h8-9,14,19H,1-7,10-13,15-16H2;1H