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

Systemtic Name: 2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-methoxy-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCOCC2)C3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCOCC2)C3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O5S/c1-22-14-4-2-3-12(16-18-13(11-25-16)17(20)21)15(14)24-10-7-19-5-8-23-9-6-19/h2-4,11H,5-10H2,1H3,(H,20,21)