(1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate

Systemtic Name: (1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Openeye Name: (1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate CAS Name: (1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate IUPAC Name: (1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Traditional Name: (1R)-1-(4-hydroxybenzyl)-6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Formula: C19H21NO5 MolecularWeight: 343.37374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[NH2+]C2(CC3=CC=C(C=C3)O)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[NH2+][C@@]2(CC3=CC=C(C=C3)O)C(=O)[O-])OC

InChI

InChI=1S/C19H21NO5/c1-24-16-9-13-7-8-20-19(18(22)23,15(13)10-17(16)25-2)11-12-3-5-14(21)6-4-12/h3-6,9-10,20-21H,7-8,11H2,1-2H3,(H,22,23)/t19-/m1/s1