2-cyano-3-(4-fluorophenyl)-N-(pyridin-1-ium-3-ylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-(4-fluorophenyl)-N-(pyridin-1-ium-3-ylmethyl)prop-2-enamide Openeye Name: 2-cyano-3-(4-fluorophenyl)-N-(pyridin-1-ium-3-ylmethyl)prop-2-enamide CAS Name: 2-cyano-3-(4-fluorophenyl)-N-(3-pyridin-1-iumylmethyl)-2-propenamide IUPAC Name: 2-cyano-3-(4-fluorophenyl)-N-(pyridin-1-ium-3-ylmethyl)prop-2-enamide Traditional Name: 2-cyano-3-(4-fluorophenyl)-N-(pyridin-1-ium-3-ylmethyl)acrylamide Formula: C16H13FN3O+ MolecularWeight: 282.292323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CNC(=O)C(=CC2=CC=C(C=C2)F)C#N

Isomeric SMILES

C1=CC(=C[NH+]=C1)CNC(=O)C(=CC2=CC=C(C=C2)F)C#N

InChI

InChI=1S/C16H12FN3O/c17-15-5-3-12(4-6-15)8-14(9-18)16(21)20-11-13-2-1-7-19-10-13/h1-8,10H,11H2,(H,20,21)/p+1