(E)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (E)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-(2-thienyl)acrylate Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/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/h2-5,12-14H,6-11H2,1H3,(H,22,23)/b16-13-