1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate hydrochloride

Systemtic Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate hydrochloride Openeye Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate hydrochloride CAS Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate hydrochloride IUPAC Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate hydrochloride Traditional Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate hydrochloride Formula: C18H24ClNO6 MolecularWeight: 385.83926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(CN2)O.O.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(CN2)O.O.Cl

InChI

InChI=1S/C18H21NO5.ClH.H2O/c1-22-15-6-10(7-16(23-2)18(15)24-3)17-12-5-4-11(20)8-13(12)14(21)9-19-17;;/h4-8,14,17,19-21H,9H2,1-3H3;1H;1H2