2-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(5-bromo-2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(5-bromo-2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(5-bromo-2,4-dimethoxy-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H21BrNO2+ MolecularWeight: 363.26884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCC3=CC=CC=C3C2)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCC3=CC=CC=C3C2)Br)OC

InChI

InChI=1S/C18H20BrNO2/c1-21-17-10-18(22-2)16(19)9-15(17)12-20-8-7-13-5-3-4-6-14(13)11-20/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1