2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium oxalate
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Product Description
Product
2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium oxalate
CAS
84100-86-7
Formula
C48H52N6O4; C23H26N3.C2HO4
Typical Product Specifications
Molecular weight
776.96
EINECS
282-165-0
SMILES
CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)N(C)CCC#N)C)C.C(=O)(C(=O)[O-])O
InChI
KGVVDMHZUWGILD-UHFFFAOYSA-M
InChIKey
1S/C23H26N3.C2H2O4/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;3-1(4)2(5)6/h5-6,8-15H,7,17H2,1-4H3;(H,3,4)(H,5,6)/q+1;/p-1
Class
2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium oxalate
Product Description
Product
2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium oxalate
CAS
84100-86-7
Formula
C48H52N6O4; C23H26N3.C2HO4
Typical Product Specifications
Molecular weight
776.96
EINECS
282-165-0
SMILES
CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)N(C)CCC#N)C)C.C(=O)(C(=O)[O-])O
InChI
KGVVDMHZUWGILD-UHFFFAOYSA-M
InChIKey
1S/C23H26N3.C2H2O4/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;3-1(4)2(5)6/h5-6,8-15H,7,17H2,1-4H3;(H,3,4)(H,5,6)/q+1;/p-1
Class
