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

Systemtic Name: (2S,4R)-N-[(2-fluorophenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(2-fluorobenzyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C12H16FN2O2+ MolecularWeight: 239.266043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NCC2=CC=CC=C2F)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NCC2=CC=CC=C2F)O

InChI

InChI=1S/C12H15FN2O2/c13-10-4-2-1-3-8(10)6-15-12(17)11-5-9(16)7-14-11/h1-4,9,11,14,16H,5-7H2,(H,15,17)/p+1/t9-,11+/m1/s1