2-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(5-bromo-2,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(5-bromo-2,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(5-bromo-2,4-dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H25BrNO4+ MolecularWeight: 423.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO4/c1-23-17-10-18(24-2)16(21)7-15(17)12-22-6-5-13-8-19(25-3)20(26-4)9-14(13)11-22/h7-10H,5-6,11-12H2,1-4H3/p+1