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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3-bromo-4-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(3-bromo-4-methoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H23BrNO3+ MolecularWeight: 393.29482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)Br

InChI

InChI=1S/C19H22BrNO3/c1-22-17-5-4-13(8-16(17)20)11-21-7-6-14-9-18(23-2)19(24-3)10-15(14)12-21/h4-5,8-10H,6-7,11-12H2,1-3H3/p+1