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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC1(CN2CCCC2)C3=CC4=C(C=C3)SCCC4.Cl

Isomeric SMILES

CC(=O)N1CCCCC1(CN2CCCC2)C3=CC4=C(C=C3)SCCC4.Cl

InChI

InChI=1S/C21H30N2OS.ClH/c1-17(24)23-13-3-2-10-21(23,16-22-11-4-5-12-22)19-8-9-20-18(15-19)7-6-14-25-20;/h8-9,15H,2-7,10-14,16H2,1H3;1H