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

Systemtic Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxamide Openeye Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide CAS Name: N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide IUPAC Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide Traditional Name: 4-keto-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-6,7-dihydro-5H-benzofuran-3-carboxamide Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3=COC4=C3C(=O)CCC4

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3=COC4=C3C(=O)CCC4

InChI

InChI=1S/C23H24N4O3/c1-27(13-10-17-7-2-3-11-24-17)22-16(6-5-12-25-22)14-26-23(29)18-15-30-20-9-4-8-19(28)21(18)20/h2-3,5-7,11-12,15H,4,8-10,13-14H2,1H3,(H,26,29)/p+1