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

Systemtic Name: 2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-methoxy-4-(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=C(C=CC(=C1)C2=NC(=CS2)C(=O)[O-])OCC[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)[O-])OCC[NH+]3CCOCC3

InChI

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