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

Systemtic Name: (E)-2-cyano-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(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=C(C=C2)C=C(C#N)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c17-12-14(16(19)20)11-13-3-5-15(6-4-13)21-10-9-18-7-1-2-8-18/h3-6,11H,1-2,7-10H2,(H,19,20)/b14-11+