KJN

[(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium

Created:	2022-05-26
Last modified:	2022-09-21

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1 entries where KJN is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	34
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	6

2D diagram of KJN

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Chemical Component Summary
Name	[(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium
Systematic Name (OpenEye OEToolkits)	[(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium
Formula	C₁₂ H₁₉ N₂ O
Molecular Weight	207.292
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)C(=O)[CH]([NH3+])CCc1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	CN(C)C(=O)C(CCc1ccccc1)[NH3+]
Canonical SMILES	CACTVS	3.385	CN(C)C(=O)[C@H]([NH3+])CCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)C(=O)[C@@H](CCc1ccccc1)[NH3+]
InChI	InChI	1.06	InChI=1S/C12H18N2O/c1-14(2)12(15)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3/p+1/t11-/m1/s1
InChIKey	InChI	1.06	QEESVUFHIWOBTA-LLVKDONJSA-O

Related Resource References

Resource Name	Reference
PubChem	164890222

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