5-bromanyl-1-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name: 5-bromanyl-1-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 5-bromo-1-[2-(2,4-dimethoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid bromide CAS Name: 5-bromo-1-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 5-bromo-1-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid bromide Traditional Name: 5-bromo-1-[2-(2,4-dimethoxyphenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid bromide Formula: C16H15Br2NO5 MolecularWeight: 461.102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO5.BrH/c1-22-12-3-4-13(15(6-12)23-2)14(19)9-18-7-10(16(20)21)5-11(17)8-18;/h3-8H,9H2,1-2H3;1H