(E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(2-pyridylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-methoxy-3-(4-thiomorpholin-4-iumylmethyl)phenyl]-N-(2-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-N-(2-pyridylmethyl)acrylamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=N2)C[NH+]3CCSCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=N2)C[NH+]3CCSCC3

InChI

InChI=1S/C22H24N4O2S/c1-28-21-6-5-17(13-19(21)16-26-8-10-29-11-9-26)12-18(14-23)22(27)25-15-20-4-2-3-7-24-20/h2-7,12-13H,8-11,15-16H2,1H3,(H,25,27)/p+1/b18-12+