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83972-76-3 | Pyridinium,1-[[[4-(cyclohexylcarbonyl)pyridinio]methoxy]methyl]-2-[(hydroxyimino)methyl]-
CAS No: 83972-76-3 Catalog No: AG004QIY MDL No:
Product Description
Catalog Number:
AG004QIY
Chemical Name:
Pyridinium,1-[[[4-(cyclohexylcarbonyl)pyridinio]methoxy]methyl]-2-[(hydroxyimino)methyl]-
CAS Number:
83972-76-3
Molecular Formula:
C20H25N3O3++
Molecular Weight:
355.4308
IUPAC Name:
cyclohexyl-[1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methanone
InChI:
InChI=1S/C20H24N3O3/c24-20(17-6-2-1-3-7-17)18-9-12-22(13-10-18)15-26-16-23-11-5-4-8-19(23)14-21-25/h4-5,8-14,17H,1-3,6-7,15-16H2/q+1/p+1
InChI Key:
VDXGTBZXMLRUAU-UHFFFAOYSA-O
SMILES:
ON=Cc1cccc[n+]1COC[n+]1ccc(cc1)C(=O)C1CCCCC1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
355.19g/mol
Formal Charge:
2
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.438g/mol
Monoisotopic Mass:
355.19g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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