phenyl 3-bromanylpyridin-1-ium-1-carboxylate

Systemtic Name: phenyl 3-bromanylpyridin-1-ium-1-carboxylate Openeye Name: phenyl 3-bromopyridin-1-ium-1-carboxylate CAS Name: 3-bromo-1-pyridin-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 3-bromopyridin-1-ium-1-carboxylate Traditional Name: 3-bromopyridin-1-ium-1-carboxylic acid phenyl ester Formula: C12H9BrNO2+ MolecularWeight: 279.10936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrNO2/c13-10-5-4-8-14(9-10)12(15)16-11-6-2-1-3-7-11/h1-9H/q+1