(E)-3-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (E)-3-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: (E)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-cyano-2-propenoate IUPAC Name: (E)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-cyano-acrylate Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3/c18-15-4-5-16(13(11-15)10-14(12-19)17(21)22)23-9-8-20-6-2-1-3-7-20/h4-5,10-11H,1-3,6-9H2,(H,21,22)/b14-10+