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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NCC2=CC=C(C=C2)F)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NCC2=CC=C(C=C2)F)O

InChI

InChI=1S/C12H15FN2O2/c13-9-3-1-8(2-4-9)6-15-12(17)11-5-10(16)7-14-11/h1-4,10-11,14,16H,5-7H2,(H,15,17)/p+1/t10-,11+/m1/s1