4-[4-[(4-tert-butylphenyl)-oxidanyl-phenyl-methyl]piperidin-1-yl]-1-phenyl-butan-1-one hydrochloride

Systemtic Name: 4-[4-[(4-tert-butylphenyl)-oxidanyl-phenyl-methyl]piperidin-1-yl]-1-phenyl-butan-1-one hydrochloride Openeye Name: 4-[4-[(4-tert-butylphenyl)-hydroxy-phenyl-methyl]-1-piperidyl]-1-phenyl-butan-1-one hydrochloride CAS Name: 4-[4-[(4-tert-butylphenyl)-hydroxy-phenylmethyl]-1-piperidinyl]-1-phenyl-1-butanone hydrochloride IUPAC Name: 4-[4-[(4-tert-butylphenyl)-hydroxy-phenylmethyl]piperidin-1-yl]-1-phenylbutan-1-one hydrochloride Traditional Name: 4-[4-[(4-tert-butylphenyl)-hydroxy-phenyl-methyl]piperidino]-1-phenyl-butan-1-one hydrochloride Formula: C32H40ClNO2 MolecularWeight: 506.1185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2CCN(CC2)CCCC(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2CCN(CC2)CCCC(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C32H39NO2.ClH/c1-31(2,3)26-16-18-28(19-17-26)32(35,27-13-8-5-9-14-27)29-20-23-33(24-21-29)22-10-15-30(34)25-11-6-4-7-12-25;/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3;1H