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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(5-bromo-2-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)Br)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

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

InChI

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