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

Systemtic Name: 2-[2-[4-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-methoxy-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-methoxy-2-(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=CC(=C(C=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCOCC3

Isomeric SMILES

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

InChI

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