Molecule ID: 57681561

IUPAC Name: (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]azanium

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

SMILES: CCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc(O)c3nc(O)ccc13)C2

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

InChI: InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.2 Ų
- LogP: 3.3