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

Systemtic Name: 2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCC[NH+]3CCOCC3

InChI

InChI=1S/C19H24N2O5S/c1-3-25-16-12-14(18-20-13(2)17(27-18)19(22)23)4-5-15(16)26-11-8-21-6-9-24-10-7-21/h4-5,12H,3,6-11H2,1-2H3,(H,22,23)