(Z)-2-cyano-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (Z)-2-cyano-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)[O-])OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)[O-])OCC[NH+]2CCCCC2

InChI

InChI=1S/C19H24N2O4/c1-2-24-18-13-15(12-16(14-20)19(22)23)6-7-17(18)25-11-10-21-8-4-3-5-9-21/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,23)/b16-12-