1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-methylpiperazin-1-yl)ethanone dihydrobromide

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-methylpiperazin-1-yl)ethanone dihydrobromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methylpiperazin-1-yl)ethanone dihydrobromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methyl-1-piperazinyl)ethanone dihydrobromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone dihydrobromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methylpiperazino)ethanone dihydrobromide Formula: C21H36Br2N2O2 MolecularWeight: 508.33074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2CCN(CC2)C.Br.Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2CCN(CC2)C.Br.Br

InChI

InChI=1S/C21H34N2O2.2BrH/c1-20(2,3)16-12-15(13-17(19(16)25)21(4,5)6)18(24)14-23-10-8-22(7)9-11-23;;/h12-13,25H,8-11,14H2,1-7H3;2*1H