Molecule ID: 5231296

IUPAC Name: [2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]-tert-butylazanium

Description: The molecule is the ammonium ion that is the conjugate acid of clenbuterol, formed by protonation of the secondary amine nitrogen atom. It is a conjugate acid of a clenbuterol.

SMILES: CC(C)(C)NCC(O)c1cc(Cl)c([NH3+])c(Cl)c1

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][NH3+1][C][Branch1][C][Cl][=C][Ring1][=Branch2]

InChI: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/p+1

Molecular Properties:
- Polar Surface Area: 62.9 Ų
- LogP: 2.2