Smiles:
O=C([C@H]1CCC[N@H+]1Cc1ccccc1)NCCC[N@@H+]1CC[C@@]2(CC1)OCc1c2cccc1

Netcharge:
2

InChIKey:
MAKMQGKJURAJEN-YCWJOULHNA-P

InChI:

1/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/p+2/t25-/m1/s1/fC27H37N3O2/h28-30H/q+2

InChIcol:
1

More information (from its Standard Form):

CHEMBL201945

Complex structures in which this molecule appears :

Complex Structure ID: 68

References in which this molecule is mentioned:

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.

Download the SDF file