Tropine 4-tolylacetate methiodide

(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate iodide

Also Known As: Tropine 4-tolylacetate methiodide|Tropine p-tolylacetate methiodide|8-Methyltropinium iodide, p-tolyl acetate|(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate;iodide|1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl, p-tolylacetate (ester), iodide|8-Azoniabicyclo (3.2.1)octane, 8,8-dimethyl-3-((4-methylbenzoyl)oxy)-, iodide, endo-|8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((4-methylbenzoyl)oxy)-, iodide, endo-|endo-8,8-Dimethyl-3-((4-methylbenzoyl)oxy)-8-azoniabicyclo(3.2.1)octane iodide|(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate iodide|8,8-Dimethyl-3-{[(4-methylphenyl)acetyl]oxy}-8-azabicyclo[3.2.1]octan-8-ium iodide|endo-8,8-dimethyl-3-((4-methylbenzoyl)oxy)-8-azoniabicyclo(3.2.1)octane, iodide

Molecular Formula	C18H26INO2
Molecular Weight	415.10083 g/mol
LogP	-0.14548
Topological Polar Surface Area	26.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	415.10083
Monoisotopic Mass	415.10083
Heavy Atoms	22
Complexity	369.0

Chemical Identifiers

CAS Number	5135-79-5
SMILES	CC1=CC=C(C=C1)CC(=O)OC2CC3CCC(C2)[N+]3(C)C.[I-]
InChIKey	YHIYMHZGIATCDV-UHFFFAOYSA-M