1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name: 1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 1-[2-(3-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid bromide CAS Name: 1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 1-[2-(3-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid bromide Traditional Name: 1-[2-keto-2-(3-methoxyphenyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4.BrH/c1-20-13-6-2-4-11(8-13)14(17)10-16-7-3-5-12(9-16)15(18)19;/h2-9H,10H2,1H3;1H