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

Systemtic Name: tert-butyl (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: tert-butyl (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid tert-butyl ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3/p+1/t12-/m0/s1