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

Systemtic Name: 2-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-methoxy-3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-methoxy-3-(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=CC(=C(C=C2)OC)OCC[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

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

InChI

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