(E)-3-(4-ethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(4-ethylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(4-ethylphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(4-ethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(4-ethylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H25N3O2/c1-2-17-3-5-18(6-4-17)8-10-21(25)23-16-19-7-9-20(22-15-19)24-11-13-26-14-12-24/h3-10,15H,2,11-14,16H2,1H3,(H,23,25)/p+1/b10-8+