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

Systemtic Name: 5-[4-oxidanyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]coumarilamide Formula: C29H37N2O4+ MolecularWeight: 477.61508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=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/C29H36N2O4/c1-20(2)22-7-5-21(6-8-22)19-31-13-11-29(33,12-14-31)24-9-10-26-23(16-24)17-27(35-26)28(32)30-18-25-4-3-15-34-25/h5-10,16-17,20,25,33H,3-4,11-15,18-19H2,1-2H3,(H,30,32)/p+1/t25-/m1/s1