(2R)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-(2-thienyl)propionate Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-24-18-14-15(13-16(20(22)23)19-3-2-12-27-19)4-5-17(18)26-11-8-21-6-9-25-10-7-21/h2-5,12,14,16H,6-11,13H2,1H3,(H,22,23)/t16-/m0/s1