1-[2-[[ß-cyano-4-(diethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate
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Product Description
Product
1-[2-[[ß-cyano-4-(diethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate
CAS
94087-12-4
Formula
C27H33N4O5S; C20H25N4O2.C7H7O3S
Typical Product Specifications
Molecular weight
525.64
EINECS
301-905-6
SMILES
S(=O)(=O)(c1ccc(cc1)C)[O-].[N+]1(C=NC=C1)(CCOC(=O)/C=C(\C#N)c1ccc(N(CC)CC)cc1)C
InChI
WDUGHFIWKOUANY-LSJACRKWSA-M
InChIKey
1S/C20H25N4O2.C7H8O3S/c1-4-23(5-2)19-8-6-17(7-9-19)18(15-21)14-20(25)26-13-12-24(3)11-10-22-16-24;1-6-2-4-7(5-3-6)11(8,9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b18-14+;
Class
1-[2-[[ß-cyano-4-(diethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate
Product Description
Product
1-[2-[[ß-cyano-4-(diethylamino)cinnamoyl]oxy]ethyl]-1-methyl-1H-imidazolium toluene-p-sulphonate
CAS
94087-12-4
Formula
C27H33N4O5S; C20H25N4O2.C7H7O3S
Typical Product Specifications
Molecular weight
525.64
EINECS
301-905-6
SMILES
S(=O)(=O)(c1ccc(cc1)C)[O-].[N+]1(C=NC=C1)(CCOC(=O)/C=C(\C#N)c1ccc(N(CC)CC)cc1)C
InChI
WDUGHFIWKOUANY-LSJACRKWSA-M
InChIKey
1S/C20H25N4O2.C7H8O3S/c1-4-23(5-2)19-8-6-17(7-9-19)18(15-21)14-20(25)26-13-12-24(3)11-10-22-16-24;1-6-2-4-7(5-3-6)11(8,9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b18-14+;
Class
