1-(3-methoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

Systemtic Name: 1-(3-methoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Openeye Name: 1-(4-hydroxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride CAS Name: 1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Traditional Name: 1-(4-hydroxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=CC(=C(C=C3CCN2)O)O)O.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=CC(=C(C=C3CCN2)O)O)O.Cl

InChI

InChI=1S/C16H17NO4.ClH/c1-21-15-7-10(2-3-12(15)18)16-11-8-14(20)13(19)6-9(11)4-5-17-16;/h2-3,6-8,16-20H,4-5H2,1H3;1H