N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxamide

Systemtic Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxamide Openeye Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide CAS Name: N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide IUPAC Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide Traditional Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-keto-6,7-dihydro-5H-benzofuran-3-carboxamide Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2=COC3=C2C(=O)CCC3

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2=COC3=C2C(=O)CCC3

InChI

InChI=1S/C19H23N3O3/c1-3-22(4-2)18-13(7-6-10-20-18)11-21-19(24)14-12-25-16-9-5-8-15(23)17(14)16/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,21,24)/p+1