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

Systemtic Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-(4-thiomorpholin-4-iumylmethyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]acrylamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2CCCCC2)C[NH+]3CCSCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)C[NH+]3CCSCC3

InChI

InChI=1S/C22H29N3O2S/c1-27-21-8-7-17(14-19(21)16-25-9-11-28-12-10-25)13-18(15-23)22(26)24-20-5-3-2-4-6-20/h7-8,13-14,20H,2-6,9-12,16H2,1H3,(H,24,26)/p+1/b18-13+