1-[4-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O

InChI

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