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

Systemtic Name: (3R)-1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(3,5-ditert-butyl-4-hydroxy-benzyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C25H43N2O2+ MolecularWeight: 403.62112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H42N2O2/c1-9-27(10-2)23(29)19-12-11-13-26(17-19)16-18-14-20(24(3,4)5)22(28)21(15-18)25(6,7)8/h14-15,19,28H,9-13,16-17H2,1-8H3/p+1/t19-/m1/s1