1-(3,4-dihydro-2H-thiochromen-4-yl)-2-(1-pyridin-2-ylethyl)piperazine trihydrochloride

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-2-(1-pyridin-2-ylethyl)piperazine trihydrochloride Openeye Name: 2-[1-(2-pyridyl)ethyl]-1-thiochroman-4-yl-piperazine trihydrochloride CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[1-(2-pyridinyl)ethyl]piperazine trihydrochloride IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-2-(1-pyridin-2-ylethyl)piperazine trihydrochloride Traditional Name: 2-[1-(2-pyridyl)ethyl]-1-thiochroman-4-yl-piperazine trihydrochloride Formula: C20H28Cl3N3S MolecularWeight: 448.88042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CNCCN1C2CCSC3=CC=CC=C23)C4=CC=CC=N4.Cl.Cl.Cl

Isomeric SMILES

CC(C1CNCCN1C2CCSC3=CC=CC=C23)C4=CC=CC=N4.Cl.Cl.Cl

InChI

InChI=1S/C20H25N3S.3ClH/c1-15(17-7-4-5-10-22-17)19-14-21-11-12-23(19)18-9-13-24-20-8-3-2-6-16(18)20;;;/h2-8,10,15,18-19,21H,9,11-14H2,1H3;3*1H