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

Systemtic Name: (E)-3-(1-benzofuran-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(benzofuran-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(2-benzofuranyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(1-benzofuran-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(benzofuran-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C=CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)/C=C/C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O3/c25-21(8-6-18-13-17-3-1-2-4-19(17)27-18)23-15-16-5-7-20(22-14-16)24-9-11-26-12-10-24/h1-8,13-14H,9-12,15H2,(H,23,25)/p+1/b8-6+