ethyl (2S)-1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(3-bromo-4-fluoro-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-bromo-4-fluorophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3-bromo-4-fluoro-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C15H20BrFNO2+ MolecularWeight: 345.227203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C15H19BrFNO2/c1-2-20-15(19)14-5-3-4-8-18(14)10-11-6-7-13(17)12(16)9-11/h6-7,9,14H,2-5,8,10H2,1H3/p+1/t14-/m0/s1