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

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-benzyl)-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Formula: C29H43N2O2+ MolecularWeight: 451.66392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C29H42N2O2/c1-20(22-11-9-8-10-12-22)30-27(33)23-13-15-31(16-14-23)19-21-17-24(28(2,3)4)26(32)25(18-21)29(5,6)7/h8-12,17-18,20,23,32H,13-16,19H2,1-7H3,(H,30,33)/p+1/t20-/m1/s1