Molecule ID: 71668261

IUPAC Name: 6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]azanium

Description: The molecule is an organic cation that is the conjugate acid of vilanterol, obtained by protonation of the secondary amino group. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a vilanterol.

SMILES: OCc1cc([C@@H](O)C[NH2+]CCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O

SELFIES: [O][C][C][=C][C][Branch2][Ring1][=C][C@@H1][Branch1][C][O][C][NH2+1][C][C][C][C][C][C][O][C][C][O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring2][Ring1][=N][O]

InChI: InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/p+1/t24-/m0/s1

Molecular Properties:
- Polar Surface Area: 95.8 Ų
- LogP: 3.8