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

Systemtic Name: (Z)-2-cyano-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[4-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C17H20N2O4 MolecularWeight: 316.3517

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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+]2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)[O-])OCC[NH+]2CCCC2

InChI

InChI=1S/C17H20N2O4/c1-22-15-5-4-13(10-14(12-18)17(20)21)11-16(15)23-9-8-19-6-2-3-7-19/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,21)/b14-10-