5-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 5-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 5-bromo-2-methyl-1-veratryl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C19H23BrClNO2 MolecularWeight: 412.74842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C=CC=C2Br.[Cl-]

Isomeric SMILES

C[NH+]1CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C=CC=C2Br.[Cl-]

InChI

InChI=1S/C19H22BrNO2.ClH/c1-21-10-9-14-15(5-4-6-16(14)20)17(21)11-13-7-8-18(22-2)19(12-13)23-3;/h4-8,12,17H,9-11H2,1-3H3;1H