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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C=C(C#N)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)/C=C(/C#N)\C(=O)[O-]

InChI

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