(2S)-1-(3-bromanylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-bromanylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(3-bromophenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(3-bromophenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(3-bromophenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(3-bromophenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C18H21BrNO2+ MolecularWeight: 363.26884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(COC3=CC(=CC=C3)Br)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)C[C@@H](COC3=CC(=CC=C3)Br)O

InChI

InChI=1S/C18H20BrNO2/c19-16-6-3-7-18(10-16)22-13-17(21)12-20-9-8-14-4-1-2-5-15(14)11-20/h1-7,10,17,21H,8-9,11-13H2/p+1/t17-/m0/s1