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

Systemtic Name: 2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-methoxy-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-12-16(18(21)22)26-17(19-12)13-4-3-5-14(23-2)15(13)25-11-8-20-6-9-24-10-7-20/h3-5H,6-11H2,1-2H3,(H,21,22)