6,7-dimethoxy-2-methyl-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline dihydrate hydrochloride

Systemtic Name: 6,7-dimethoxy-2-methyl-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline dihydrate hydrochloride Openeye Name: 6,7-dimethoxy-2-methyl-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline dihydrate hydrochloride CAS Name: 6,7-dimethoxy-2-methyl-1-[(phenylthio)methyl]-3,4-dihydro-1H-isoquinoline dihydrate hydrochloride IUPAC Name: 6,7-dimethoxy-2-methyl-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline dihydrate hydrochloride Traditional Name: 6,7-dimethoxy-2-methyl-1-[(phenylthio)methyl]-3,4-dihydro-1H-isoquinoline dihydrate hydrochloride Formula: C19H28ClNO4S MolecularWeight: 401.94792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CSC3=CC=CC=C3)OC)OC.O.O.Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1CSC3=CC=CC=C3)OC)OC.O.O.Cl

InChI

InChI=1S/C19H23NO2S.ClH.2H2O/c1-20-10-9-14-11-18(21-2)19(22-3)12-16(14)17(20)13-23-15-7-5-4-6-8-15;;;/h4-8,11-12,17H,9-10,13H2,1-3H3;1H;2*1H2