5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)benzofuran-2-carboxamide CAS Name: 5-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(2-methoxyphenyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-methoxyphenyl)coumarilamide Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5CCC=CC5)O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)C[C@H]5CCC=CC5)O

InChI

InChI=1S/C28H32N2O4/c1-33-25-10-6-5-9-23(25)29-27(31)26-18-21-17-22(11-12-24(21)34-26)28(32)13-15-30(16-14-28)19-20-7-3-2-4-8-20/h2-3,5-6,9-12,17-18,20,32H,4,7-8,13-16,19H2,1H3,(H,29,31)/p+1/t20-/m1/s1