(4-bromophenyl) 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanesulfonate

Systemtic Name: (4-bromophenyl) 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanesulfonate Openeye Name: (4-bromophenyl) 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanesulfonate CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanesulfonic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanesulfonate Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanesulfonic acid (4-bromophenyl) ester Formula: C17H19BrNO3S+ MolecularWeight: 397.30666

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCS(=O)(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCS(=O)(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrNO3S/c18-16-5-7-17(8-6-16)22-23(20,21)12-11-19-10-9-14-3-1-2-4-15(14)13-19/h1-8H,9-13H2/p+1