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

Systemtic Name: 1-methyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride Openeye Name: 2-benzyl-1-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride CAS Name: 1-methyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride IUPAC Name: 2-benzyl-1-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride Traditional Name: 2-benzyl-1-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol hydrate hydrochloride Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)O)C(CN1CC3=CC=CC=C3)O.O.Cl

Isomeric SMILES

CC1C2=C(C=C(C=C2)O)C(CN1CC3=CC=CC=C3)O.O.Cl

InChI

InChI=1S/C17H19NO2.ClH.H2O/c1-12-15-8-7-14(19)9-16(15)17(20)11-18(12)10-13-5-3-2-4-6-13;;/h2-9,12,17,19-20H,10-11H2,1H3;1H;1H2