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

Systemtic Name: 5-bromanyl-1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 5-bromo-1-[2-(4-fluorophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylic acid CAS Name: 5-bromo-1-[2-(4-fluorophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 5-bromo-1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 5-bromo-1-[2-(4-fluorophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid Formula: C14H10BrFNO3+ MolecularWeight: 339.136503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C[N+]2=CC(=CC(=C2)Br)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[N+]2=CC(=CC(=C2)Br)C(=O)O)F

InChI

InChI=1S/C14H9BrFNO3/c15-11-5-10(14(19)20)6-17(7-11)8-13(18)9-1-3-12(16)4-2-9/h1-7H,8H2/p+1