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

Systemtic Name: (E)-3-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (E)-3-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)prop-2-enoate CAS Name: (E)-3-[4-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (E)-3-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-(2-thienyl)acrylate Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C(C2=CC=CS2)C(=O)[O-])OCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C(/C2=CC=CS2)\C(=O)[O-])OCC[NH+]3CCCCC3

InChI

InChI=1S/C21H25NO4S/c1-25-17-8-7-16(14-18(21(23)24)20-6-5-13-27-20)19(15-17)26-12-11-22-9-3-2-4-10-22/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,24)/b18-14-