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

Systemtic Name: 2-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S/c1-2-15-17(19(23)24)26-18(21-15)14-12-13(20)6-7-16(14)25-11-10-22-8-4-3-5-9-22/h6-7,12H,2-5,8-11H2,1H3,(H,23,24)