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

Systemtic Name: ethyl (3R)-6-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: ethyl (3R)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-6-hydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(C[NH2+]1)C=CC(=C2)O

Isomeric SMILES

CCOC(=O)[C@H]1CC2=C(C[NH2+]1)C=CC(=C2)O

InChI

InChI=1S/C12H15NO3/c1-2-16-12(15)11-6-9-5-10(14)4-3-8(9)7-13-11/h3-5,11,13-14H,2,6-7H2,1H3/p+1/t11-/m1/s1