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

Systemtic Name: (2S,4R)-N-(2-bromanyl-4-fluoranyl-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(2-bromo-4-fluoro-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(2-bromo-4-fluorophenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(2-bromo-4-fluoro-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C11H13BrFN2O2+ MolecularWeight: 304.135523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrFN2O2/c12-8-3-6(13)1-2-9(8)15-11(17)10-4-7(16)5-14-10/h1-3,7,10,14,16H,4-5H2,(H,15,17)/p+1/t7-,10+/m1/s1