(2S,4R)-N-[2-(2-fluorophenyl)ethyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-[2-(2-fluorophenyl)ethyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-[2-(2-fluorophenyl)ethyl]-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C13H18FN2O2+ MolecularWeight: 253.292623

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NCCC2=CC=CC=C2F)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NCCC2=CC=CC=C2F)O

InChI

InChI=1S/C13H17FN2O2/c14-11-4-2-1-3-9(11)5-6-15-13(18)12-7-10(17)8-16-12/h1-4,10,12,16-17H,5-8H2,(H,15,18)/p+1/t10-,12+/m1/s1