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

Systemtic Name: 4-methyl-2-[2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[2-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-5-carboxylate Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2OCC[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2OCC[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4S/c1-12-15(17(20)21)24-16(18-12)13-4-2-3-5-14(13)23-11-8-19-6-9-22-10-7-19/h2-5H,6-11H2,1H3,(H,20,21)