3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-(4-methyl-1-piperazinyl)-1-propanone hydrochloride IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride Traditional Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-(4-methylpiperazino)propan-1-one hydrochloride Formula: C22H37ClN2O2S MolecularWeight: 429.05938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)N2CCN(CC2)C.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)N2CCN(CC2)C.Cl

InChI

InChI=1S/C22H36N2O2S.ClH/c1-21(2,3)17-14-16(15-18(20(17)26)22(4,5)6)27-13-8-19(25)24-11-9-23(7)10-12-24;/h14-15,26H,8-13H2,1-7H3;1H