2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
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Product Description
Product
2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
CAS
85187-82-2
Formula
C24H29N3O4S; C23H26N3.CH3O4S
Typical Product Specifications
Molecular weight
455.57
EINECS
286-170-9
SMILES
CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)N(C)CCC#N)C)C.COS(=O)(=O)[O-]
InChI
YCGIYKJTOOCUTE-UHFFFAOYSA-M
InChIKey
1S/C23H26N3.CH4O4S/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5-6(2,3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
Class
2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
Product Description
Product
2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
CAS
85187-82-2
Formula
C24H29N3O4S; C23H26N3.CH3O4S
Typical Product Specifications
Molecular weight
455.57
EINECS
286-170-9
SMILES
CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)N(C)CCC#N)C)C.COS(=O)(=O)[O-]
InChI
YCGIYKJTOOCUTE-UHFFFAOYSA-M
InChIKey
1S/C23H26N3.CH4O4S/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5-6(2,3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
Class
