ethyl (3R)-2-[(3-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: ethyl (3R)-2-[(3-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: ethyl (3R)-2-[(3-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[(3-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-[(3-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-(3-bromobenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C19H21BrNO2+ MolecularWeight: 375.27954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrNO2/c1-2-23-19(22)18-11-15-7-3-4-8-16(15)13-21(18)12-14-6-5-9-17(20)10-14/h3-10,18H,2,11-13H2,1H3/p+1/t18-/m1/s1