ethyl (3R)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: ethyl (3R)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: ethyl (3R)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(C=CC(=C2C[NH2+]1)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CC2=C(C=CC(=C2C[NH2+]1)OC)OC

InChI

InChI=1S/C14H19NO4/c1-4-19-14(16)11-7-9-10(8-15-11)13(18-3)6-5-12(9)17-2/h5-6,11,15H,4,7-8H2,1-3H3/p+1/t11-/m1/s1