Molecule Info: [4-(2-Isoxazoline-3-yloxy)-2-butynyl]trimethylaminium
Smiles:
C[N+](CC#CCOC1=NOCC1)(C)C

Netcharge:
1

InChIKey:
WXXOCGISBCTWPW-UHFFFAOYNA-N

InChI:
1/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1

InChIcol:
1

+info (from its Standard Form):
[4-(2-Isoxazoline-3-yloxy)-2-butynyl]trimethylaminium

Complex structures in which this molecule appears :
Complex Structure ID: 67

References in which this molecule is mentioned:

National Center for Biotechnology Information. PubChem Compound Database. None. Information for this molecule was obtained via PubChem API and RDKit tools. None None (None). doi: None.


Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.



Image of the Specific State: