3-carbamyl-N-allylquinuclidinium
(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-methylcarbamate bromide
Also Known As: 3-Carbamyl-N-allylquinuclidinium|ACMC-20cknj|3,N-Cab|3-Carbamyl-N-allylquinuclidinium bromide|3-[(methylcarbamoyl)oxy]-1-(prop-2-en-1-yl)-1-azoniabicyclo[2.2.2]octane bromide|1-Azoniabicyclo[2.2.2]octane,3-[[(methylamino)carbonyl]oxy]-1-(2-propen-1-yl)-, bromide (1:1)|(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-methylcarbamate bromide|(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-methylcarbamate;bromide|1-Azoniabicyclo(2.2.2)octane, 3-(((methylamino)carbonyl)oxy)-1-(2-propenyl)-, bromide, (+-)-
| Molecular Formula | C12H21BrN2O2 |
|---|---|
| Molecular Weight | 304.07864 g/mol |
| LogP | -1.8586 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.07864 |
| Monoisotopic Mass | 304.07864 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 17514-62-4 |
|---|---|
| SMILES | CNC(=O)OC1C[N+]2(CCC1CC2)CC=C.[Br-] |
| InChIKey | BXDQGQQKPNCSLK-UHFFFAOYSA-N |
Product Overview
3-carbamyl-N-allylquinuclidinium (CAS 17514-62-4), with molecular formula C12H21BrN2O2 and molecular weight 304.07864 g/mol. IUPAC: (1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl) N-methylcarbamate bromide.