1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol trihydrate dihydrochloride

Systemtic Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol trihydrate dihydrochloride Openeye Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol trihydrate dihydrochloride CAS Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol trihydrate dihydrochloride IUPAC Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol trihydrate dihydrochloride Traditional Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol trihydrate dihydrochloride Formula: C32H42Cl2N2O9 MolecularWeight: 669.58988

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1C3=CC=CC=C3O)C=CC(=C2)O)O.CN1CC(C2=C(C1C3=CC=CC=C3O)C=CC(=C2)O)O.O.O.O.Cl.Cl

Isomeric SMILES

CN1CC(C2=C(C1C3=CC=CC=C3O)C=CC(=C2)O)O.CN1CC(C2=C(C1C3=CC=CC=C3O)C=CC(=C2)O)O.O.O.O.Cl.Cl

InChI

InChI=1S/2C16H17NO3.2ClH.3H2O/c2*1-17-9-15(20)13-8-10(18)6-7-11(13)16(17)12-4-2-3-5-14(12)19;;;;;/h2*2-8,15-16,18-20H,9H2,1H3;2*1H;3*1H2