1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate dihydrochloride

Systemtic Name: 1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate dihydrochloride Openeye Name: 1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate dihydrochloride CAS Name: 1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate dihydrochloride IUPAC Name: 1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate dihydrochloride Traditional Name: 1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate dihydrochloride Formula: C34H42Cl2N2O7 MolecularWeight: 661.61248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1C3=CC=C(C=C3)OC)C=CC(=C2)O)O.CN1CC(C2=C(C1C3=CC=C(C=C3)OC)C=CC(=C2)O)O.O.Cl.Cl

Isomeric SMILES

CN1CC(C2=C(C1C3=CC=C(C=C3)OC)C=CC(=C2)O)O.CN1CC(C2=C(C1C3=CC=C(C=C3)OC)C=CC(=C2)O)O.O.Cl.Cl

InChI

InChI=1S/2C17H19NO3.2ClH.H2O/c2*1-18-10-16(20)15-9-12(19)5-8-14(15)17(18)11-3-6-13(21-2)7-4-11;;;/h2*3-9,16-17,19-20H,10H2,1-2H3;2*1H;1H2