2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
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Product Description
Product
2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
CAS
84012-51-1
Formula
C27H33N3O2; C25H30N3.C2H3O2
Typical Product Specifications
Molecular weight
431.57
EINECS
281-691-8
SMILES
CCN(CCC#N)c1ccc(c(c1)C)/C=C/C2=[N+](c3ccccc3C2(C)C)C.CC(=O)[O-]
InChI
BKLVTRULGQWEOL-UHFFFAOYSA-M
InChIKey
1S/C25H30N3.C2H4O2/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-2(3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;1H3,(H,3,4)/q+1;/p-1
Class
2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
Product Description
Product
2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
CAS
84012-51-1
Formula
C27H33N3O2; C25H30N3.C2H3O2
Typical Product Specifications
Molecular weight
431.57
EINECS
281-691-8
SMILES
CCN(CCC#N)c1ccc(c(c1)C)/C=C/C2=[N+](c3ccccc3C2(C)C)C.CC(=O)[O-]
InChI
BKLVTRULGQWEOL-UHFFFAOYSA-M
InChIKey
1S/C25H30N3.C2H4O2/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-2(3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;1H3,(H,3,4)/q+1;/p-1
Class
