ethyl 1-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3,5-ditert-butyl-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3,5-ditert-butyl-2-hydroxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H38NO3+ MolecularWeight: 376.55272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C23H37NO3/c1-8-27-21(26)16-9-11-24(12-10-16)15-17-13-18(22(2,3)4)14-19(20(17)25)23(5,6)7/h13-14,16,25H,8-12,15H2,1-7H3/p+1