1-[3-(aminomethyl)-5-tert-butyl-2-oxidanyl-phenyl]pentan-1-one hydrochloride

Systemtic Name: 1-[3-(aminomethyl)-5-tert-butyl-2-oxidanyl-phenyl]pentan-1-one hydrochloride Openeye Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxy-phenyl]pentan-1-one hydrochloride CAS Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxyphenyl]-1-pentanone hydrochloride IUPAC Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxyphenyl]pentan-1-one hydrochloride Traditional Name: 1-[3-(aminomethyl)-5-tert-butyl-2-hydroxy-phenyl]pentan-1-one hydrochloride Formula: C16H26ClNO2 MolecularWeight: 299.83614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2.ClH/c1-5-6-7-14(18)13-9-12(16(2,3)4)8-11(10-17)15(13)19;/h8-9,19H,5-7,10,17H2,1-4H3;1H