methyl (2S,4R)-1-[(2-fluorophenyl)methyl]-4-(quinolin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(2-fluorophenyl)methyl]-4-(quinolin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(2-fluorophenyl)methyl]-4-(quinoline-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(2-fluorophenyl)methyl]-4-[[oxo(2-quinolinyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(2-fluorophenyl)methyl]-4-(quinoline-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(2-fluorobenzyl)-4-(quinaldoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H23FN3O3+ MolecularWeight: 408.445423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC=CC=C2F)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC=CC=C2F)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22FN3O3/c1-30-23(29)21-12-17(14-27(21)13-16-7-2-4-8-18(16)24)25-22(28)20-11-10-15-6-3-5-9-19(15)26-20/h2-11,17,21H,12-14H2,1H3,(H,25,28)/p+1/t17-,21+/m1/s1