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

Systemtic Name: [1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone chloride Openeye Name: [1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone chloride CAS Name: [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-pyridin-1-iumyl]-phenylmethanone chloride IUPAC Name: [1-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyridin-1-ium-4-yl]-phenylmethanone chloride Traditional Name: [1-(2-bromo-4,5-dimethoxy-benzyl)pyridin-1-ium-4-yl]-phenyl-methanone chloride Formula: C21H19BrClNO3 MolecularWeight: 448.73746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrNO3.ClH/c1-25-19-12-17(18(22)13-20(19)26-2)14-23-10-8-16(9-11-23)21(24)15-6-4-3-5-7-15;/h3-13H,14H2,1-2H3;1H/q+1;/p-1