945-96-0 Purity
96%
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The molecular formula of Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is C23H33BrN2O2.
The molecular weight of Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is 449.4 g/mol.
The synonyms for Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl) amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide include EINECS 305-526-7, 94598-43-3, and ENDO-8,8-DIMETHYL-3-[[[(2-PHENYLBICYCLO[2.2.1]HEPT-2-YL)AMINO]CARBONYL]OXY]-8-AZONIABICYCLO[3.2.1]OCTANE BROMIDE.
The IUPAC name of Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) N-(2-phenyl-2-bicyclo[2.2.1]heptanyl) carbamate; bromide.
The InChI for Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is 1S/C23H32N2O2.BrH/c1-25(2)19-10-11-20(25)14-21(13-19)27-22(26)24-23(17-6-4-3-5-7-17)15-16-8-9-18(23)12-16;/h3-7,16,18-21H,8-15H2,1-2H3;1H, and the InChIKey is ZKBZWOOQCUBWLR-UHFFFAOYSA-N.
The Canonical SMILES representation of Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is C[N+]1(C2CCC1CC(C2)OC(=O)NC3(CC4CCC3C4)C5=CC=CC=C5)C.[Br-].
The hydrogen bond donor count of Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is 1.
The rotatable bond count of Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is 4.
Yes, the compound Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is canonicalized.
The topological polar surface area of Endo-8,8-dimethyl-3-[[[(2-phenylbicyclo[2.2.1]hept-2-yl)amino]carbonyl]oxy]-8-azoniabicyclo[3.2.1]octane bromide is 38.3 Ų.