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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO3/c1-8-27-21(26)17-10-9-11-24(15-17)14-16-12-18(22(2,3)4)20(25)19(13-16)23(5,6)7/h12-13,17,25H,8-11,14-15H2,1-7H3/p+1/t17-/m0/s1