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

Systemtic Name: (E)-2-cyano-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]acrylate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)C=C(C#N)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C20H20N2O3/c21-14-16(20(23)24)13-18-17-6-2-1-5-15(17)7-8-19(18)25-12-11-22-9-3-4-10-22/h1-2,5-8,13H,3-4,9-12H2,(H,23,24)/b16-13+