2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium methyl sulphate
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Product Description
Product
2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium methyl sulphate
CAS
85187-81-1
Formula
C29H30N2O5S; C28H27N2O.CH3O4S
Typical Product Specifications
Molecular weight
518.62
EINECS
286-169-3
SMILES
CC[N+]1=C(c2cccc3c2c1ccc3)c4ccc(cc4)N(C)c5ccc(cc5)OCC.COS(=O)(=O)[O-]
InChI
NWIMVKUKXLMMOZ-UHFFFAOYSA-M
InChIKey
1S/C28H27N2O.CH4O4S/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;1-5-6(2,3)4/h6-19H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
Class
2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium methyl sulphate
Product Description
Product
2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium methyl sulphate
CAS
85187-81-1
Formula
C29H30N2O5S; C28H27N2O.CH3O4S
Typical Product Specifications
Molecular weight
518.62
EINECS
286-169-3
SMILES
CC[N+]1=C(c2cccc3c2c1ccc3)c4ccc(cc4)N(C)c5ccc(cc5)OCC.COS(=O)(=O)[O-]
InChI
NWIMVKUKXLMMOZ-UHFFFAOYSA-M
InChIKey
1S/C28H27N2O.CH4O4S/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;1-5-6(2,3)4/h6-19H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
Class
