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

Systemtic Name: (E)-3-[3-bromanyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: (E)-3-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-bromo-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-cyano-2-propenoate IUPAC Name: (E)-3-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2-cyano-acrylate Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3/c17-14-10-12(9-13(11-18)16(20)21)3-4-15(14)22-8-7-19-5-1-2-6-19/h3-4,9-10H,1-2,5-8H2,(H,20,21)/b13-9+