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

Systemtic Name: (E)-2-cyano-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC=C2C=C(C#N)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C16H18N2O3/c17-12-14(16(19)20)11-13-5-1-2-6-15(13)21-10-9-18-7-3-4-8-18/h1-2,5-6,11H,3-4,7-10H2,(H,19,20)/b14-11+