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

Systemtic Name: (Z)-2-cyano-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[4-methoxy-3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)[O-])OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)[O-])OCC[NH+]2CCCCC2

InChI

InChI=1S/C18H22N2O4/c1-23-16-6-5-14(11-15(13-19)18(21)22)12-17(16)24-10-9-20-7-3-2-4-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,22)/b15-11-