methyl (2S,4S,5S)-5-(2-fluorophenyl)-4-(hydroxymethyl)-2-methyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5S)-5-(2-fluorophenyl)-4-(hydroxymethyl)-2-methyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5S)-5-(2-fluorophenyl)-4-(hydroxymethyl)-2-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5S)-5-(2-fluorophenyl)-4-(hydroxymethyl)-2-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5S)-5-(2-fluorophenyl)-4-(hydroxymethyl)-2-methylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5S)-5-(2-fluorophenyl)-2-methyl-4-methylol-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H19FNO3+ MolecularWeight: 268.303963

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH2+]1)C2=CC=CC=C2F)CO)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@H]([NH2+]1)C2=CC=CC=C2F)CO)C(=O)OC

InChI

InChI=1S/C14H18FNO3/c1-14(13(18)19-2)7-9(8-17)12(16-14)10-5-3-4-6-11(10)15/h3-6,9,12,16-17H,7-8H2,1-2H3/p+1/t9-,12+,14+/m1/s1