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

Systemtic Name: 5-[1-(2,2-dimethylpropyl)-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzofuran-2-carboxamide CAS Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxy-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-[1-(2,2-dimethylpropyl)-4-hydroxypiperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-(4-hydroxy-1-neopentyl-piperidin-1-ium-4-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]coumarilamide Formula: C24H35N2O4+ MolecularWeight: 415.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4CCCO4)O

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NC[C@H]4CCCO4)O

InChI

InChI=1S/C24H34N2O4/c1-23(2,3)16-26-10-8-24(28,9-11-26)18-6-7-20-17(13-18)14-21(30-20)22(27)25-15-19-5-4-12-29-19/h6-7,13-14,19,28H,4-5,8-12,15-16H2,1-3H3,(H,25,27)/p+1/t19-/m1/s1