1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-benzyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C26H43N2O3+ MolecularWeight: 431.63122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCC(CC2)C(=O)NCC3CCCO3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCC(CC2)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C26H42N2O3/c1-25(2,3)21-14-18(15-22(23(21)29)26(4,5)6)17-28-11-9-19(10-12-28)24(30)27-16-20-8-7-13-31-20/h14-15,19-20,29H,7-13,16-17H2,1-6H3,(H,27,30)/p+1/t20-/m1/s1