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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)pyridin-1-ium-3-carboxamide chloride Formula: C15H16BrClN2O3 MolecularWeight: 387.65614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O3.ClH/c1-20-13-6-11(12(16)7-14(13)21-2)9-18-5-3-4-10(8-18)15(17)19;/h3-8H,9H2,1-2H3,(H-,17,19);1H