[(3R)-1-methylpiperidin-1-ium-3-yl] 5-methylthiophene-2-carboxylate

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 5-methylthiophene-2-carboxylate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C12H18NO2S+ MolecularWeight: 240.34182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OC2CCC[NH+](C2)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)O[C@@H]2CCC[NH+](C2)C

InChI

InChI=1S/C12H17NO2S/c1-9-5-6-11(16-9)12(14)15-10-4-3-7-13(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3/p+1/t10-/m1/s1