[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[cyclopropyl-(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H17FN2O4 MolecularWeight: 344.336983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H17FN2O4/c19-15-6-2-1-5-13(15)11-20(14-8-9-14)17(22)12-25-18(23)16-7-3-4-10-21(16)24/h1-7,10,14H,8-9,11-12H2