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

Systemtic Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate trihydrochloride Openeye Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate trihydrochloride CAS Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate trihydrochloride IUPAC Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate trihydrochloride Traditional Name: 1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol hydrate trihydrochloride Formula: C54H68Cl3N3O16 MolecularWeight: 1121.48722

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H21NO5.3ClH.H2O/c3*1-22-15-6-10(7-16(23-2)18(15)24-3)17-12-5-4-11(20)8-13(12)14(21)9-19-17;;;;/h3*4-8,14,17,19-21H,9H2,1-3H3;3*1H;1H2