2-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]isoquinolin-2-ium chloride

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]isoquinolin-2-ium chloride Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]isoquinolin-2-ium chloride CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]isoquinolin-2-ium chloride IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]isoquinolin-2-ium chloride Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)isoquinolin-2-ium chloride Formula: C18H17BrClNO2 MolecularWeight: 394.69008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[N+]2=CC3=CC=CC=C3C=C2)Br)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C[N+]2=CC3=CC=CC=C3C=C2)Br)OC.[Cl-]

InChI

InChI=1S/C18H17BrNO2.ClH/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;/h3-11H,12H2,1-2H3;1H/q+1;/p-1