(4-bromanyl-2-fluoranyl-phenyl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid (4-bromo-2-fluoro-phenyl) ester Formula: C16H15BrFN2O2+ MolecularWeight: 366.204903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H14BrFN2O2/c17-11-5-6-14(13(18)10-11)22-16(21)12-4-3-7-19-15(12)20-8-1-2-9-20/h3-7,10H,1-2,8-9H2/p+1