N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[1-(2-ethylbutyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[1-(2-ethylbutyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[1-(2-ethylbutyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[1-(2-ethylbutyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[1-(2-ethylbutyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[1-(2-ethylbutyl)-4-hydroxy-piperidin-1-ium-4-yl]coumarilamide Formula: C25H37N2O5+ MolecularWeight: 445.57168

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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)NCC4COCCO4)O

Isomeric SMILES

CCC(CC)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NC[C@H]4COCCO4)O

InChI

InChI=1S/C25H36N2O5/c1-3-18(4-2)16-27-9-7-25(29,8-10-27)20-5-6-22-19(13-20)14-23(32-22)24(28)26-15-21-17-30-11-12-31-21/h5-6,13-14,18,21,29H,3-4,7-12,15-17H2,1-2H3,(H,26,28)/p+1/t21-/m0/s1