(2S,4R)-N-(3-chloranyl-2-fluoranyl-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(3-chloranyl-2-fluoranyl-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(3-chloro-2-fluoro-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(3-chloro-2-fluorophenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(3-chloro-2-fluorophenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(3-chloro-2-fluoro-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C11H13ClFN2O2+ MolecularWeight: 259.684523

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=C(C(=CC=C2)Cl)F)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NC2=C(C(=CC=C2)Cl)F)O

InChI

InChI=1S/C11H12ClFN2O2/c12-7-2-1-3-8(10(7)13)15-11(17)9-4-6(16)5-14-9/h1-3,6,9,14,16H,4-5H2,(H,15,17)/p+1/t6-,9+/m1/s1