1-[(4-methylsulfanylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

Systemtic Name: 1-[(4-methylsulfanylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Openeye Name: 1-[(4-methylsulfanylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride CAS Name: 1-[[4-(methylthio)phenoxy]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride IUPAC Name: 1-[(4-methylsulfanylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Traditional Name: 1-[[4-(methylthio)phenoxy]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2)O)O.Cl

Isomeric SMILES

CSC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2)O)O.Cl

InChI

InChI=1S/C17H19NO3S.ClH/c1-22-13-4-2-12(3-5-13)21-10-15-14-9-17(20)16(19)8-11(14)6-7-18-15;/h2-5,8-9,15,18-20H,6-7,10H2,1H3;1H