N-(2,6-diethylphenyl)-2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(1-piperidin-1-iumylmethyl)-3-benzofurancarboxamide IUPAC Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCCC4)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C26H32N2O3/c1-4-18-10-9-11-19(5-2)25(18)27-26(30)23-17(3)31-22-13-12-21(29)20(24(22)23)16-28-14-7-6-8-15-28/h9-13,29H,4-8,14-16H2,1-3H3,(H,27,30)/p+1