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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pyridin-1-ium-3-ol chloride Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]pyridin-1-ium-3-ol chloride CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-pyridin-1-iumol chloride IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyridin-1-ium-3-ol chloride Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)pyridin-1-ium-3-ol chloride Formula: C14H15BrClNO3 MolecularWeight: 360.6308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO3.ClH/c1-18-13-6-10(12(15)7-14(13)19-2)8-16-5-3-4-11(17)9-16;/h3-7,9H,8H2,1-2H3;1H