tert-butyl-[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium; methanol; ethanoate

Systemtic Name: tert-butyl-[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium; methanol; ethanoate Openeye Name: tert-butyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium; methanol; acetate CAS Name: tert-butyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium; methanol; acetate IUPAC Name: tert-butyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]azanium; methanol; acetate Traditional Name: tert-butyl-[(2R)-2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]ammonium; methanol; acetate Formula: C16H29NO6 MolecularWeight: 331.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)[NH2+]CC(C1=CC(=C(C=C1)O)CO)O.CO

Isomeric SMILES

CC(=O)[O-].CC(C)(C)[NH2+]C[C@@H](C1=CC(=C(C=C1)O)CO)O.CO

InChI

InChI=1S/C13H21NO3.C2H4O2.CH4O/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-2(3)4;1-2/h4-6,12,14-17H,7-8H2,1-3H3;1H3,(H,3,4);2H,1H3/t12-;;/m0../s1