(E)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (E)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)acrylate Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C=C(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)/C=C(/C3=CC=CS3)\C(=O)[O-]

InChI

InChI=1S/C20H23NO4S/c1-24-17-7-4-6-15(14-16(20(22)23)18-8-5-13-26-18)19(17)25-12-11-21-9-2-3-10-21/h4-8,13-14H,2-3,9-12H2,1H3,(H,22,23)/b16-14-