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

Systemtic Name: 4-ethyl-2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-ethyl-2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-ethyl-2-[3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-5-thiazolecarboxylate IUPAC Name: 4-ethyl-2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazole-5-carboxylate Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC(=CC=C2)OCC[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC(=CC=C2)OCC[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C18H22N2O4S/c1-2-15-16(18(21)22)25-17(19-15)13-4-3-5-14(12-13)24-11-8-20-6-9-23-10-7-20/h3-5,12H,2,6-11H2,1H3,(H,21,22)