tert-butyl (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: tert-butyl (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: tert-butyl (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid tert-butyl ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-16(2,3)21-15(18)12-6-10-7-13(19-4)14(20-5)8-11(10)9-17-12/h7-8,12,17H,6,9H2,1-5H3/p+1/t12-/m0/s1