propan-2-yl (2S,3S)-2-(4-fluorophenyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl (2S,3S)-2-(4-fluorophenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: isopropyl (2S,3S)-2-(4-fluorophenyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S)-2-(4-fluorophenyl)-3-pyrrolidin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S,3S)-2-(4-fluorophenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S)-2-(4-fluorophenyl)pyrrolidin-1-ium-3-carboxylic acid isopropyl ester Formula: C14H19FNO2+ MolecularWeight: 252.304563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC[NH2+]C1C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO2/c1-9(2)18-14(17)12-7-8-16-13(12)10-3-5-11(15)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3/p+1/t12-,13+/m0/s1