BW 403C65

methyl sulfate;6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Also Known As: BW 403C65|BW-403C65|BW.403C65|methyl sulfate;6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium|1,3-Dioxolo(4,5-g)isoquinolinium, 5,5'-(1,8-octanediyl)bis(7,8-dihydro-6,7,7-trimethyl-, bis(methyl sulfate)|5,5'-(Octane-1,8-diyl)bis(6,7,7-trimethyl-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium) bis(methyl sulfate)|5,5'-Octamethylenebis(7,8-dihydro-6,7,7-trimethyl-1,3-dioxolo(4,5-g)isoquinolinium methyl sulfate|methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Molecular Formula	C36H52N2O12S2
Molecular Weight	768.29614 g/mol
LogP	4.6832
Topological Polar Surface Area	193.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	768.29614
Monoisotopic Mass	768.29614
Heavy Atoms	52
Complexity	999.0

Chemical Identifiers

CAS Number	34827-34-4
SMILES	CC1(CC2=CC3=C(C=C2C(=[N+]1C)CCCCCCCCC4=[N+](C(CC5=CC6=C(C=C54)OCO6)(C)C)C)OCO3)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
InChIKey	ZRQKDNJBBRBJAO-UHFFFAOYSA-L