1-[(4-dimethylaminophenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[(4-dimethylaminophenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(4-dimethylaminophenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[[(4-dimethylaminophenyl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(4-dimethylaminophenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-[[(4-dimethylaminophenyl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)SCC2C3=CC(=C(C=C3CCN2)O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)SCC2C3=CC(=C(C=C3CCN2)O)O

InChI

InChI=1S/C18H22N2O2S/c1-20(2)13-3-5-14(6-4-13)23-11-16-15-10-18(22)17(21)9-12(15)7-8-19-16/h3-6,9-10,16,19,21-22H,7-8,11H2,1-2H3