(Z)-3-[3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (Z)-3-[3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-chloro-5-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyano-acrylate Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O4/c1-2-25-17-12-14(10-15(13-21)19(23)24)11-16(20)18(17)26-9-8-22-6-4-3-5-7-22/h10-12H,2-9H2,1H3,(H,23,24)/b15-10-