(3R)-1-[(1S)-1-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[(1S)-1-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[(1S)-1-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[(1S)-1-(4-fluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[(1S)-1-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[(1S)-1-(4-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C17H21FN2O3 MolecularWeight: 320.358643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(C2=CC=C(C=C2)F)N3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)C[C@H](C2=CC=C(C=C2)F)N3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C17H21FN2O3/c18-14-5-3-12(4-6-14)15(11-19-7-1-2-8-19)20-10-13(17(22)23)9-16(20)21/h3-6,13,15H,1-2,7-11H2,(H,22,23)/t13-,15-/m1/s1