2-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[3-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCOCC3

InChI

InChI=1S/C19H24N2O5S/c1-2-25-17-11-14(19-20-15(13-27-19)12-18(22)23)3-4-16(17)26-10-7-21-5-8-24-9-6-21/h3-4,11,13H,2,5-10,12H2,1H3,(H,22,23)