2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-oxidanyl-phenyl]ethanone hydrochloride

Systemtic Name: 2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-oxidanyl-phenyl]ethanone hydrochloride Openeye Name: 2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone hydrochloride CAS Name: 2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone hydrochloride IUPAC Name: 2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone hydrochloride Traditional Name: 2-(tert-butylamino)-1-(4-hydroxy-3-methylol-phenyl)ethanone hydrochloride Formula: C13H20ClNO3 MolecularWeight: 273.7558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(=O)C1=CC(=C(C=C1)O)CO.Cl

Isomeric SMILES

CC(C)(C)NCC(=O)C1=CC(=C(C=C1)O)CO.Cl

InChI

InChI=1S/C13H19NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,14-16H,7-8H2,1-3H3;1H