(1R)-6-methoxy-7-oxidanyl-1-(phenylmethyl)-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate

Systemtic Name: (1R)-6-methoxy-7-oxidanyl-1-(phenylmethyl)-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Openeye Name: (1R)-1-benzyl-7-hydroxy-6-methoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate CAS Name: (1R)-7-hydroxy-6-methoxy-1-(phenylmethyl)-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate IUPAC Name: (1R)-1-benzyl-7-hydroxy-6-methoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Traditional Name: (1R)-1-benzyl-7-hydroxy-6-methoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Formula: C18H19NO4 MolecularWeight: 313.34776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-23-16-9-13-7-8-19-18(17(21)22,14(13)10-15(16)20)11-12-5-3-2-4-6-12/h2-6,9-10,19-20H,7-8,11H2,1H3,(H,21,22)/t18-/m1/s1