methyl (2S,4S,5S)-5-(2-fluoranyl-5-methoxy-phenyl)-4-(hydroxymethyl)-2-methyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5S)-5-(2-fluoranyl-5-methoxy-phenyl)-4-(hydroxymethyl)-2-methyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5S)-5-(2-fluoro-5-methoxy-phenyl)-4-(hydroxymethyl)-2-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5S)-5-(2-fluoro-5-methoxyphenyl)-4-(hydroxymethyl)-2-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5S)-5-(2-fluoro-5-methoxyphenyl)-4-(hydroxymethyl)-2-methylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5S)-5-(2-fluoro-5-methoxy-phenyl)-2-methyl-4-methylol-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H21FNO4+ MolecularWeight: 298.329943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20FNO4/c1-15(14(19)21-3)7-9(8-18)13(17-15)11-6-10(20-2)4-5-12(11)16/h4-6,9,13,17-18H,7-8H2,1-3H3/p+1/t9-,13+,15+/m1/s1