(E)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (E)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[4-methoxy-3-(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=C(C=C(C=C1)C=C(C2=CC=CS2)C(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C2=CC=CS2)\C(=O)[O-])OCC[NH+]3CCCC3

InChI

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