5-[1-(2-ethylbutyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-(2-ethylbutyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(2-ethylbutyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzofuran-2-carboxamide CAS Name: 5-[1-(2-ethylbutyl)-4-hydroxy-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-[1-(2-ethylbutyl)-4-hydroxypiperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(2-ethylbutyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]coumarilamide Formula: C25H37N2O4+ MolecularWeight: 429.57228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4CCCO4)O

Isomeric SMILES

CCC(CC)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NC[C@H]4CCCO4)O

InChI

InChI=1S/C25H36N2O4/c1-3-18(4-2)17-27-11-9-25(29,10-12-27)20-7-8-22-19(14-20)15-23(31-22)24(28)26-16-21-6-5-13-30-21/h7-8,14-15,18,21,29H,3-6,9-13,16-17H2,1-2H3,(H,26,28)/p+1/t21-/m1/s1