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

Systemtic Name: 2-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-methoxy-4-(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=CC(=C(C=C2)OCC[NH+]3CCCCC3)OC)C(=O)[O-]

Isomeric SMILES

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

InChI

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