4PO

alpha-(4-pyridyl-1-oxide)-N-tert-butylnitrone

Created:	2010-01-21
Last modified:	2020-06-05

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1 entries where 4PO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of 4PO

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Chemical Component Summary
Name	alpha-(4-pyridyl-1-oxide)-N-tert-butylnitrone
Synonyms	4-POBN
Systematic Name (OpenEye OEToolkits)	N-tert-butyl-1-(1-oxidanidylpyridin-1-ium-4-yl)methanimine oxide
Formula	C₁₀ H₁₄ N₂ O₂
Molecular Weight	194.23
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	CC(C)(C)[N+]([O-])=Cc1cc[n+]([O-])cc1
SMILES	OpenEye OEToolkits	1.7.0	CC(C)(C)[N+](=Cc1cc[n+](cc1)[O-])[O-]
Canonical SMILES	CACTVS	3.352	CC(C)(C)[N+](/[O-])=C/c1cc[n+]([O-])cc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-]
InChI	InChI	1.03	InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8-
InChIKey	InChI	1.03	RNRMWTCECDHNQU-WQLSENKSSA-N

Related Resource References

Resource Name	Reference
PubChem	135532295

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