(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-coumaran-5-yl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C=CC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N3O3/c25-21(6-3-16-1-4-19-18(13-16)7-10-27-19)23-15-17-2-5-20(22-14-17)24-8-11-26-12-9-24/h1-6,13-14H,7-12,15H2,(H,23,25)/p+1/b6-3+