1-[3-(aminomethyl)-5-tert-butyl-2-oxidanyl-phenyl]-2-chloranyl-ethanone hydrochloride

Systemtic Name: 1-[3-(aminomethyl)-5-tert-butyl-2-oxidanyl-phenyl]-2-chloranyl-ethanone hydrochloride Openeye Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxy-phenyl]-2-chloro-ethanone hydrochloride CAS Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxyphenyl]-2-chloroethanone hydrochloride IUPAC Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxyphenyl]-2-chloroethanone hydrochloride Traditional Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxy-phenyl]-2-chloro-ethanone hydrochloride Formula: C13H19Cl2NO2 MolecularWeight: 292.20146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)CCl)O)CN.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)CCl)O)CN.Cl

InChI

InChI=1S/C13H18ClNO2.ClH/c1-13(2,3)9-4-8(7-15)12(17)10(5-9)11(16)6-14;/h4-5,17H,6-7,15H2,1-3H3;1H