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

Systemtic Name: 5-bromanyl-1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 5-bromo-1-[2-(3-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid CAS Name: 5-bromo-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 5-bromo-1-[2-(3-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 5-bromo-1-[2-keto-2-(3-methoxyphenyl)ethyl]pyridin-1-ium-3-carboxylic acid Formula: C15H13BrNO4+ MolecularWeight: 351.17202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO4/c1-21-13-4-2-3-10(6-13)14(18)9-17-7-11(15(19)20)5-12(16)8-17/h2-8H,9H2,1H3/p+1