5-[tert-butyl-(phenylmethyl)amino]pentan-2-one hydrochloride

Systemtic Name: 5-[tert-butyl-(phenylmethyl)amino]pentan-2-one hydrochloride Openeye Name: 5-[benzyl(tert-butyl)amino]pentan-2-one hydrochloride CAS Name: 5-[tert-butyl-(phenylmethyl)amino]-2-pentanone hydrochloride IUPAC Name: 5-[benzyl(tert-butyl)amino]pentan-2-one hydrochloride Traditional Name: 5-[benzyl(tert-butyl)amino]pentan-2-one hydrochloride Formula: C16H26ClNO MolecularWeight: 283.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN(CC1=CC=CC=C1)C(C)(C)C.Cl

Isomeric SMILES

CC(=O)CCCN(CC1=CC=CC=C1)C(C)(C)C.Cl

InChI

InChI=1S/C16H25NO.ClH/c1-14(18)9-8-12-17(16(2,3)4)13-15-10-6-5-7-11-15;/h5-7,10-11H,8-9,12-13H2,1-4H3;1H