1-[(4-prop-2-enoxyphenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

Systemtic Name: 1-[(4-prop-2-enoxyphenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Openeye Name: 1-[(4-allyloxyphenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride CAS Name: 1-[[(4-prop-2-enoxyphenyl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride IUPAC Name: 1-[(4-prop-2-enoxyphenyl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Traditional Name: 1-[[(4-allyloxyphenyl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)SCC2C3=CC(=C(C=C3CCN2)O)O.Cl

Isomeric SMILES

C=CCOC1=CC=C(C=C1)SCC2C3=CC(=C(C=C3CCN2)O)O.Cl

InChI

InChI=1S/C19H21NO3S.ClH/c1-2-9-23-14-3-5-15(6-4-14)24-12-17-16-11-19(22)18(21)10-13(16)7-8-20-17;/h2-6,10-11,17,20-22H,1,7-9,12H2;1H