1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

Systemtic Name: 1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Openeye Name: 1-(2-thienylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride CAS Name: 1-[(thiophen-2-ylthio)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride IUPAC Name: 1-(thiophen-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Traditional Name: 1-[(2-thienylthio)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Formula: C14H16ClNO2S2 MolecularWeight: 329.86534

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CSC3=CC=CS3.Cl

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CSC3=CC=CS3.Cl

InChI

InChI=1S/C14H15NO2S2.ClH/c16-12-6-9-3-4-15-11(10(9)7-13(12)17)8-19-14-2-1-5-18-14;/h1-2,5-7,11,15-17H,3-4,8H2;1H