(E)-3-(3,5-dimethoxyphenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(3,5-dimethoxyphenyl)-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3)OC

InChI

InChI=1S/C21H25N3O4/c1-26-18-12-16(13-19(14-18)27-2)5-6-20(25)23-15-17-4-3-7-22-21(17)24-8-10-28-11-9-24/h3-7,12-14H,8-11,15H2,1-2H3,(H,23,25)/p+1/b6-5+