2-[1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoic acid

Systemtic Name: 2-[1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoic acid Openeye Name: 2-[1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid CAS Name: 2-[1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid IUPAC Name: 2-[1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid Traditional Name: 2-[1-(4-bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid Formula: C19H21BrNO4+ MolecularWeight: 407.27834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C19H20BrNO4/c1-24-16-9-13-7-8-21(11-18(22)23)19(15(13)10-17(16)25-2)12-3-5-14(20)6-4-12/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,22,23)/p+1