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

Systemtic Name: (E)-2-cyano-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC=C2C=C(C#N)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC=C2/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C17H20N2O3/c18-13-15(17(20)21)12-14-6-2-3-7-16(14)22-11-10-19-8-4-1-5-9-19/h2-3,6-7,12H,1,4-5,8-11H2,(H,20,21)/b15-12+