1-[3-(aminomethyl)-5-tert-butyl-2-oxidanyl-phenyl]propan-1-one; 2-oxidanylethanoic acid; hydrochloride

Systemtic Name: 1-[3-(aminomethyl)-5-tert-butyl-2-oxidanyl-phenyl]propan-1-one; 2-oxidanylethanoic acid; hydrochloride Openeye Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxy-phenyl]propan-1-one; 2-hydroxyacetic acid; hydrochloride CAS Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxyphenyl]-1-propanone; 2-hydroxyacetic acid; hydrochloride IUPAC Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxyphenyl]propan-1-one; 2-hydroxyacetic acid; hydrochloride Traditional Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxy-phenyl]propan-1-one; glycolic acid; hydrochloride Formula: C16H26ClNO5 MolecularWeight: 347.83434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=CC(=C1O)CN)C(C)(C)C.C(C(=O)O)O.Cl

Isomeric SMILES

CCC(=O)C1=CC(=CC(=C1O)CN)C(C)(C)C.C(C(=O)O)O.Cl

InChI

InChI=1S/C14H21NO2.C2H4O3.ClH/c1-5-12(16)11-7-10(14(2,3)4)6-9(8-15)13(11)17;3-1-2(4)5;/h6-7,17H,5,8,15H2,1-4H3;3H,1H2,(H,4,5);1H