ethyl (3R)-2-[(2-bromanyl-6-fluoranyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: ethyl (3R)-2-[(2-bromanyl-6-fluoranyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: ethyl (3R)-2-[(2-bromo-6-fluoro-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[(2-bromo-6-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(2-bromo-6-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-(2-bromo-6-fluoro-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C19H20BrFNO2+ MolecularWeight: 393.270003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=C(C=CC=C3Br)F

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CC3=C(C=CC=C3Br)F

InChI

InChI=1S/C19H19BrFNO2/c1-2-24-19(23)18-10-13-6-3-4-7-14(13)11-22(18)12-15-16(20)8-5-9-17(15)21/h3-9,18H,2,10-12H2,1H3/p+1/t18-/m1/s1