Molecule ID: 91825574

IUPAC Name: [(2R)-2-hydroxy-2-(6-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]azanium

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

SMILES: COc1ccc(CC(C)(C)[NH2+]C[C@H](O)c2cc(O)cc3c2OCC(O)=N3)cc1

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

InChI: InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 1.8