3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-2,3-dihydrothiochromen-4-one dihydrochloride

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-2,3-dihydrothiochromen-4-one dihydrochloride Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]thiochroman-4-one dihydrochloride CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-2,3-dihydro-1-benzothiopyran-4-one dihydrochloride IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydrothiochromen-4-one dihydrochloride Traditional Name: 3-[(4-benzylpiperazino)methyl]thiochroman-4-one dihydrochloride Formula: C21H26Cl2N2OS MolecularWeight: 425.41494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CSC3=CC=CC=C3C2=O)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2CSC3=CC=CC=C3C2=O)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H24N2OS.2ClH/c24-21-18(16-25-20-9-5-4-8-19(20)21)15-23-12-10-22(11-13-23)14-17-6-2-1-3-7-17;;/h1-9,18H,10-16H2;2*1H