2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
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Product Description
Product
2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
CAS
85204-55-3
Formula
C23H29ClN2O4S; C22H26ClN2.CH3O4S
Typical Product Specifications
Molecular weight
465.01
EINECS
286-342-3
SMILES
CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)N(C)CCCl)C)C.COS(=O)(=O)[O-]
InChI
BRCNZYZVEHXRLP-UHFFFAOYSA-M
InChIKey
1S/C22H26ClN2.CH4O4S/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5-6(2,3)4/h5-14H,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
Class
2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
Product Description
Product
2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
CAS
85204-55-3
Formula
C23H29ClN2O4S; C22H26ClN2.CH3O4S
Typical Product Specifications
Molecular weight
465.01
EINECS
286-342-3
SMILES
CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)N(C)CCCl)C)C.COS(=O)(=O)[O-]
InChI
BRCNZYZVEHXRLP-UHFFFAOYSA-M
InChIKey
1S/C22H26ClN2.CH4O4S/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5-6(2,3)4/h5-14H,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
Class
