(8a,9R)-9-hydroxy-6'-methoxycinchonanium nicotinate
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Product Description
Product
(8a,9R)-9-hydroxy-6'-methoxycinchonanium nicotinate
CAS
94107-85-4
Formula
C26H29N3O4; C20H24N2O2.C6H5NO2
Typical Product Specifications
Molecular weight
447.53
EINECS
302-321-4
SMILES
N12C(C(c3c4c([n+]cc3)ccc(c4)OC)O)CC(C(C1)C=C)CC2.C(=O)(c1cnccc1)[O-]
InChI
JLKLNKWCCKPIOP-UHFFFAOYSA-N
InChIKey
1S/C20H24N2O2.C6H5NO2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-6(9)5-2-1-3-7-4-5/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4H,(H,8,9)
Class
(8a,9R)-9-hydroxy-6'-methoxycinchonanium nicotinate
Product Description
Product
(8a,9R)-9-hydroxy-6'-methoxycinchonanium nicotinate
CAS
94107-85-4
Formula
C26H29N3O4; C20H24N2O2.C6H5NO2
Typical Product Specifications
Molecular weight
447.53
EINECS
302-321-4
SMILES
N12C(C(c3c4c([n+]cc3)ccc(c4)OC)O)CC(C(C1)C=C)CC2.C(=O)(c1cnccc1)[O-]
InChI
JLKLNKWCCKPIOP-UHFFFAOYSA-N
InChIKey
1S/C20H24N2O2.C6H5NO2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-6(9)5-2-1-3-7-4-5/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4H,(H,8,9)
Class
