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

Systemtic Name: 5-[1-(cyclohexylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(cyclohexylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzofuran-2-carboxamide CAS Name: 5-[1-(cyclohexylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-[1-(cyclohexylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(cyclohexylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]coumarilamide Formula: C26H37N2O5+ MolecularWeight: 457.58238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5COCCO5)O

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NC[C@H]5COCCO5)O

InChI

InChI=1S/C26H36N2O5/c29-25(27-16-22-18-31-12-13-32-22)24-15-20-14-21(6-7-23(20)33-24)26(30)8-10-28(11-9-26)17-19-4-2-1-3-5-19/h6-7,14-15,19,22,30H,1-5,8-13,16-18H2,(H,27,29)/p+1/t22-/m0/s1