[(1R,2S)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-oxidanyl-propan-2-yl]azanium

Systemtic Name: [(1R,2S)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-oxidanyl-propan-2-yl]azanium Openeye Name: [(1S,2R)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-hydroxy-1-methyl-ethyl]ammonium CAS Name: [(1R,2S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxypropan-2-yl]ammonium IUPAC Name: [(1R,2S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxypropan-2-yl]azanium Traditional Name: [(1S,2R)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-hydroxy-1-methyl-ethyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)O)[NH3+]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)O)[NH3+]

InChI

InChI=1S/C17H29NO2/c1-10(18)14(19)11-8-12(16(2,3)4)15(20)13(9-11)17(5,6)7/h8-10,14,19-20H,18H2,1-7H3/p+1/t10-,14-/m0/s1