(2R,4S)-N-[(3-fluorophenyl)methyl]-N-methyl-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-[(3-fluorophenyl)methyl]-N-methyl-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-[(3-fluorophenyl)methyl]-4-hydroxy-N-methyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-[(3-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-[(3-fluorophenyl)methyl]-4-hydroxy-N-methylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(3-fluorobenzyl)-4-hydroxy-N-methyl-pyrrolidin-1-ium-2-carboxamide Formula: C13H18FN2O2+ MolecularWeight: 253.292623

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C13H17FN2O2/c1-16(8-9-3-2-4-10(14)5-9)13(18)12-6-11(17)7-15-12/h2-5,11-12,15,17H,6-8H2,1H3/p+1/t11-,12+/m0/s1