tert-butyl-[(2S)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]ammonium Formula: C13H22NO3+ MolecularWeight: 240.31868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/p+1/t12-/m1/s1