| Properties | Image | Occurences in reactions |
MNX_ID | MNXM67628 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C21H26BrNO3 |
charge | 0 |
mass | 419.10961 |
reference | keggD:D05360 |
InChIKey | NHTZWXHFTDRAEO-UHFFFAOYSA-M |
InChI | InChI=1S/C21H26NO3.BrH/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19,24H,13-16H2,1-2H3;1H/q+1;/p-1 |
SMILES | C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1.[Br-] |
|