methyl (3R)-5-bromanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl (3R)-5-bromanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: methyl (3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C11H13BrNO2+ MolecularWeight: 271.13042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C[NH2+]1)C=CC=C2Br

Isomeric SMILES

COC(=O)[C@H]1CC2=C(C[NH2+]1)C=CC=C2Br

InChI

InChI=1S/C11H12BrNO2/c1-15-11(14)10-5-8-7(6-13-10)3-2-4-9(8)12/h2-4,10,13H,5-6H2,1H3/p+1/t10-/m1/s1