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

Systemtic Name: tert-butyl-[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2,2-bis(oxidanyl)ethyl]azanium Openeye Name: tert-butyl-[2,2-dihydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium CAS Name: tert-butyl-[2,2-dihydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium IUPAC Name: tert-butyl-[2,2-dihydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]azanium Traditional Name: tert-butyl-[2,2-dihydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]ammonium Formula: C13H22NO4+ MolecularWeight: 256.31808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4/c1-12(2,3)14-8-13(17,18)10-4-5-11(16)9(6-10)7-15/h4-6,14-18H,7-8H2,1-3H3/p+1