[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C18H19FN3O3+ MolecularWeight: 344.360163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O3/c19-13-5-7-14(8-6-13)21-16(23)12-25-18(24)15-4-3-9-20-17(15)22-10-1-2-11-22/h3-9H,1-2,10-12H2,(H,21,23)/p+1