[(3S)-1-ethylpiperidin-1-ium-3-yl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 5-bromanylthiophene-2-carboxylate Openeye Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [(3S)-1-ethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [(3S)-1-ethylpiperidin-1-ium-3-yl] ester Formula: C12H17BrNO2S+ MolecularWeight: 319.23788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)OC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)OC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H16BrNO2S/c1-2-14-7-3-4-9(8-14)16-12(15)10-5-6-11(13)17-10/h5-6,9H,2-4,7-8H2,1H3/p+1/t9-/m0/s1