[(2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-2-phenyl-ethyl] 2-bromanylethanoate bromide

Systemtic Name: [(2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-2-phenyl-ethyl] 2-bromanylethanoate bromide Openeye Name: [(2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-2-phenyl-ethyl] 2-bromoacetate bromide CAS Name: 2-bromoacetic acid [(2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-2-phenylethyl] ester bromide IUPAC Name: [(2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-2-phenylethyl] 2-bromoacetate bromide Traditional Name: 2-bromoacetic acid [(2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-2-phenyl-ethyl] ester bromide Formula: C19H19Br2NO2 MolecularWeight: 453.16766

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=CC2=CC=CC=C21)C(COC(=O)CBr)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[N+](=CC2=CC=CC=C21)[C@@H](COC(=O)CBr)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H19BrNO2.BrH/c20-12-19(22)23-14-18(16-7-2-1-3-8-16)21-11-10-15-6-4-5-9-17(15)13-21;/h1-9,13,18H,10-12,14H2;1H/q+1;/p-1/t18-;/m0./s1