3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2S)-2-(4-fluorophenyl)-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]propionate Formula: C13H16FNO2 MolecularWeight: 237.270043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)[O-])C2=CC=C(C=C2)F

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)[O-])C2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)12-2-1-8-15(12)9-7-13(16)17/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1