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

Systemtic Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)coumarilamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CN=CC=C5)O

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CN=CC=C5)O

InChI

InChI=1S/C27H31N3O3/c31-26(29-18-21-7-4-12-28-17-21)25-16-22-15-23(8-9-24(22)33-25)27(32)10-13-30(14-11-27)19-20-5-2-1-3-6-20/h1-2,4,7-9,12,15-17,20,32H,3,5-6,10-11,13-14,18-19H2,(H,29,31)/p+1/t20-/m1/s1