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

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H18ClFN3O3+ MolecularWeight: 378.805223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3O3/c19-14-10-12(20)5-6-15(14)22-16(24)11-26-18(25)13-4-3-7-21-17(13)23-8-1-2-9-23/h3-7,10H,1-2,8-9,11H2,(H,22,24)/p+1