Smiles:
N#Cc1ccccc1OC[C@H](C[NH2+]C(Cc1c[nH]c2c1cccc2)(C)C)O

Netcharge:
1

InChIKey:
FBMYKMYQHCBIGU-KYEDJPNRNA-O

InChI:

1/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/p+1/t18-/m0/s1/fC22H26N3O2/h25H/q+1

InChIcol:
1

More information (from its Standard Form):

UNII-19KXX4I4YC

Complex structures in which this molecule appears :

Complex Structure ID: 138

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