ethyl (2S)-1-[(4-bromanylthiophen-2-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(4-bromanylthiophen-2-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-bromo-2-thienyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-bromo-2-thiophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(4-bromo-2-thienyl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C13H19BrNO2S+ MolecularWeight: 333.26446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=CS2)Br

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC(=CS2)Br

InChI

InChI=1S/C13H18BrNO2S/c1-2-17-13(16)12-5-3-4-6-15(12)8-11-7-10(14)9-18-11/h7,9,12H,2-6,8H2,1H3/p+1/t12-/m0/s1