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

Systemtic Name: 2-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCOCC3

InChI

InChI=1S/C18H22N2O5S/c1-23-16-10-13(18-19-14(12-26-18)11-17(21)22)2-3-15(16)25-9-6-20-4-7-24-8-5-20/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)