tert-butyl (1S,2S)-1-[(4-fluorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-carboxylate iodide

Systemtic Name: tert-butyl (1S,2S)-1-[(4-fluorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-carboxylate iodide Openeye Name: tert-butyl (1S,2S)-1-[(4-fluorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-carboxylate iodide CAS Name: (1S,2S)-1-[(4-fluorophenyl)methyl]-1-methyl-2-pyrrolidin-1-iumcarboxylic acid tert-butyl ester iodide IUPAC Name: tert-butyl (1S,2S)-1-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-carboxylate iodide Traditional Name: (1S,2S)-1-(4-fluorobenzyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid tert-butyl ester iodide Formula: C17H25FINO2 MolecularWeight: 421.288773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC[N+]1(C)CC2=CC=C(C=C2)F.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCC[N@@+]1(C)CC2=CC=C(C=C2)F.[I-]

InChI

InChI=1S/C17H25FNO2.HI/c1-17(2,3)21-16(20)15-6-5-11-19(15,4)12-13-7-9-14(18)10-8-13;/h7-10,15H,5-6,11-12H2,1-4H3;1H/q+1;/p-1/t15-,19-;/m0./s1