4-ethyl-2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-ethyl-2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-ethyl-2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-ethyl-2-[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-5-thiazolecarboxylate IUPAC Name: 4-ethyl-2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate Formula: C19H24N2O3S MolecularWeight: 360.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC(=CC=C2)OCC[NH+]3CCCCC3)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC(=CC=C2)OCC[NH+]3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C19H24N2O3S/c1-2-16-17(19(22)23)25-18(20-16)14-7-6-8-15(13-14)24-12-11-21-9-4-3-5-10-21/h6-8,13H,2-5,9-12H2,1H3,(H,22,23)