N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]benzofuran-2-carboxamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]coumarilamide Formula: C20H24N4O2+2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N4O2/c1-23-9-11-24(12-10-23)19-16(6-4-8-21-19)14-22-20(25)18-13-15-5-2-3-7-17(15)26-18/h2-8,13H,9-12,14H2,1H3,(H,22,25)/p+2