(3R)-6-methoxy-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: (3R)-6-methoxy-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: (3R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate IUPAC Name: (3R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Formula: C11H13NO4 MolecularWeight: 223.22522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH2+]C(CC2=C1)C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C2C[NH2+][C@H](CC2=C1)C(=O)[O-])O

InChI

InChI=1S/C11H13NO4/c1-16-10-4-6-2-8(11(14)15)12-5-7(6)3-9(10)13/h3-4,8,12-13H,2,5H2,1H3,(H,14,15)/t8-/m1/s1