1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-phenyl-pyridin-1-ium chloride

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-phenyl-pyridin-1-ium chloride Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-phenyl-pyridin-1-ium chloride CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-phenylpyridin-1-ium chloride IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-phenylpyridin-1-ium chloride Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-3-phenyl-pyridin-1-ium chloride Formula: C20H19BrClNO2 MolecularWeight: 420.72736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[N+]2=CC=CC(=C2)C3=CC=CC=C3)Br)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C[N+]2=CC=CC(=C2)C3=CC=CC=C3)Br)OC.[Cl-]

InChI

InChI=1S/C20H19BrNO2.ClH/c1-23-19-11-17(18(21)12-20(19)24-2)14-22-10-6-9-16(13-22)15-7-4-3-5-8-15;/h3-13H,14H2,1-2H3;1H/q+1;/p-1