2-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-5,6,7,8-tetrahydroisoquinolin-2-ium Formula: C18H21BrNO2+ MolecularWeight: 363.26884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[N+]2=CC3=C(CCCC3)C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[N+]2=CC3=C(CCCC3)C=C2)Br)OC

InChI

InChI=1S/C18H21BrNO2/c1-21-17-9-15(16(19)10-18(17)22-2)12-20-8-7-13-5-3-4-6-14(13)11-20/h7-11H,3-6,12H2,1-2H3/q+1