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

Systemtic Name: (E)-2-cyano-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-N-(2-thienylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-N-(2-thenyl)acrylamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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=CS2)C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CS2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H23N3O3S/c1-26-20-5-4-16(12-18(20)15-24-6-8-27-9-7-24)11-17(13-22)21(25)23-14-19-3-2-10-28-19/h2-5,10-12H,6-9,14-15H2,1H3,(H,23,25)/p+1/b17-11+