N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzofuran-2-carboxamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]coumarilamide Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O2/c25-22(21-14-19-6-2-3-7-20(19)26-21)23-15-17-8-10-18(11-9-17)16-24-12-4-1-5-13-24/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H,23,25)/p+1