1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride

Systemtic Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride Openeye Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride CAS Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride IUPAC Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride Traditional Name: 1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3.ClH.H2O/c1-17-9-15(20)13-8-10(18)6-7-11(13)16(17)12-4-2-3-5-14(12)19;;/h2-8,15-16,18-20H,9H2,1H3;1H;1H2