5-[1-[(4-ethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(4-ethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(4-ethylphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzofuran-2-carboxamide CAS Name: 5-[1-[(4-ethylphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(4-ethylbenzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]coumarilamide Formula: C28H35N2O4+ MolecularWeight: 463.5885

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5CCCO5)O

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NC[C@H]5CCCO5)O

InChI

InChI=1S/C28H34N2O4/c1-2-20-5-7-21(8-6-20)19-30-13-11-28(32,12-14-30)23-9-10-25-22(16-23)17-26(34-25)27(31)29-18-24-4-3-15-33-24/h5-10,16-17,24,32H,2-4,11-15,18-19H2,1H3,(H,29,31)/p+1/t24-/m1/s1