methyl (3S)-2-[(8-oxidanylquinolin-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl (3S)-2-[(8-oxidanylquinolin-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: methyl (3S)-2-[(8-hydroxy-5-quinolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-2-[(8-hydroxy-5-quinolinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[(8-hydroxyquinolin-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-2-[(8-hydroxy-5-quinolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=C4C=CC=NC4=C(C=C3)O

Isomeric SMILES

COC(=O)[C@@H]1CC2=CC=CC=C2C[NH+]1CC3=C4C=CC=NC4=C(C=C3)O

InChI

InChI=1S/C21H20N2O3/c1-26-21(25)18-11-14-5-2-3-6-15(14)12-23(18)13-16-8-9-19(24)20-17(16)7-4-10-22-20/h2-10,18,24H,11-13H2,1H3/p+1/t18-/m0/s1