2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium acetate
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Product Description
Product
2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium acetate
CAS
83969-23-7
Formula
C23H26ClN3O2; C21H23ClN3.C2H3O2
Typical Product Specifications
Molecular weight
411.92
EINECS
281-599-8
SMILES
CC1CC(=NN1c2ccccc2Cl)C3=[N+](c4ccccc4C3(C)C)C.CC(=O)[O-]
InChI
WWRSZAFXMLAGAV-UHFFFAOYSA-M
InChIKey
1S/C21H23ClN3.C2H4O2/c1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
Class
2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium acetate
Product Description
Product
2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium acetate
CAS
83969-23-7
Formula
C23H26ClN3O2; C21H23ClN3.C2H3O2
Typical Product Specifications
Molecular weight
411.92
EINECS
281-599-8
SMILES
CC1CC(=NN1c2ccccc2Cl)C3=[N+](c4ccccc4C3(C)C)C.CC(=O)[O-]
InChI
WWRSZAFXMLAGAV-UHFFFAOYSA-M
InChIKey
1S/C21H23ClN3.C2H4O2/c1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
Class
