ethyl (2S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-bromophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3-bromobenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C15H21BrNO2+ MolecularWeight: 327.23674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO2/c1-2-19-15(18)14-8-3-4-9-17(14)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11H2,1H3/p+1/t14-/m0/s1