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

Systemtic Name: 2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCC[NH+]3CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCC[NH+]3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C19H24N2O4S/c1-13-17(19(22)23)26-18(20-13)14-7-6-8-15(24-2)16(14)25-12-11-21-9-4-3-5-10-21/h6-8H,3-5,9-12H2,1-2H3,(H,22,23)