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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C21H25N3O2/c1-16-3-5-19(17(2)13-16)6-8-21(25)23-15-18-4-7-20(22-14-18)24-9-11-26-12-10-24/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,25)/p+1/b8-6+