ethyl (3R)-1-[(4-bromanylthiophen-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(4-bromanylthiophen-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(4-bromo-2-thienyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-bromo-2-thiophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(4-bromo-2-thienyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C13H19BrNO2S+ MolecularWeight: 333.26446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=CS2)Br

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=CS2)Br

InChI

InChI=1S/C13H18BrNO2S/c1-2-17-13(16)10-4-3-5-15(7-10)8-12-6-11(14)9-18-12/h6,9-10H,2-5,7-8H2,1H3/p+1/t10-/m1/s1