1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C21H35N2O2+ MolecularWeight: 347.5148

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O2/c1-20(2,3)16-11-14(12-17(18(16)24)21(4,5)6)13-23-9-7-15(8-10-23)19(22)25/h11-12,15,24H,7-10,13H2,1-6H3,(H2,22,25)/p+1