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

Systemtic Name: 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Openeye Name: 2-[(2-bromo-5-methoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium CAS Name: 2-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Traditional Name: 2-(2-bromo-5-methoxy-benzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium Formula: C19H21BrNO3+ MolecularWeight: 391.27894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C[N+]2=CC3=CC(=C(C=C3CC2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C[N+]2=CC3=CC(=C(C=C3CC2)OC)OC

InChI

InChI=1S/C19H21BrNO3/c1-22-16-4-5-17(20)15(8-16)12-21-7-6-13-9-18(23-2)19(24-3)10-14(13)11-21/h4-5,8-11H,6-7,12H2,1-3H3/q+1