2-[6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol hydrochloride

Systemtic Name: 2-[6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol hydrochloride Openeye Name: 2-(2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)propane-1,3-diol hydrochloride CAS Name: 2-[6,7-dimethoxy-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol hydrochloride IUPAC Name: 2-(2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)propane-1,3-diol hydrochloride Traditional Name: 2-(2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)propane-1,3-diol hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC3=CC=CC=C3)C(CO)CO)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CC3=CC=CC=C3)C(CO)CO)OC.Cl

InChI

InChI=1S/C21H27NO4.ClH/c1-25-19-10-16-8-9-22(12-15-6-4-3-5-7-15)21(17(13-23)14-24)18(16)11-20(19)26-2;/h3-7,10-11,17,21,23-24H,8-9,12-14H2,1-2H3;1H