1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 4-methylbenzenesulfonate (1:1)
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![1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 4-methylbenzenesulfonate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4d3237bccfde4e90881de49b988a5667.png "1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 4-methylbenzenesulfonate (1:1)")
1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 4-methylbenzenesulfonate (1:1)
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CAS No:
94087-12-4
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Formula:
C20H25N4O2.C7H7O3S
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Chemical Name:
1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 4-methylbenzenesulfonate (1:1)
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Synonyms:
1H-Imidazolium,1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-,4-methylbenzenesulfonate (1:1);1H-Imidazolium,1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]ethyl]-1-methyl-,salt with 4-methylbenzenesulfonic acid (1:1)
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CAS No:
1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 4-methylbenzenesulfonate (1:1) Basic Attributes
525.63972
524.209
301-905-6
Computed Properties
Molecular Weight:524.6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:524.20934131
Monoisotopic Mass:524.20934131
Topological Polar Surface Area:131
Heavy Atom Count:37
Complexity:812
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
1H-Imidazolium, 1-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-1-methyl-, 4-methylbenzenesulfonate (1:1)
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