1-(3,4-dihydro-2H-thiochromen-6-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one hydrochloride

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-6-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one hydrochloride Openeye Name: 3-(1-benzyl-4-piperidyl)-1-thiochroman-6-yl-propan-1-one hydrochloride CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone hydrochloride IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(3,4-dihydro-2H-thiochromen-6-yl)propan-1-one hydrochloride Traditional Name: 3-(1-benzyl-4-piperidyl)-1-thiochroman-6-yl-propan-1-one hydrochloride Formula: C24H30ClNOS MolecularWeight: 416.0191

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4)SC1.Cl

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4)SC1.Cl

InChI

InChI=1S/C24H29NOS.ClH/c26-23(21-9-11-24-22(17-21)7-4-16-27-24)10-8-19-12-14-25(15-13-19)18-20-5-2-1-3-6-20;/h1-3,5-6,9,11,17,19H,4,7-8,10,12-16,18H2;1H