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

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)ethanone Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[NH+]2CCN(CC2)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[NH+]2CCN(CC2)C

InChI

InChI=1S/C21H34N2O2/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/p+1