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

Systemtic Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-thienylmethyl)benzofuran-2-carboxamide CAS Name: 5-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-(thiophen-2-ylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-(2-thenyl)coumarilamide Formula: C26H31N2O3S+ MolecularWeight: 451.60094

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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=CC=CS5)O

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CS5)O

InChI

InChI=1S/C26H30N2O3S/c29-25(27-17-22-7-4-14-32-22)24-16-20-15-21(8-9-23(20)31-24)26(30)10-12-28(13-11-26)18-19-5-2-1-3-6-19/h1-2,4,7-9,14-16,19,30H,3,5-6,10-13,17-18H2,(H,27,29)/p+1/t19-/m1/s1