Molecule ID: 3536595

IUPAC Name: 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-2,4-dimethylphenol

Description: The molecule is a carboxamidinium ion resulting from the protonation of the carboxamidine group of oxymetazoline. It is the major species at pH 7.3. It is a conjugate acid of an oxymetazoline.

SMILES: Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=[NH+]CCN1

SELFIES: [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][N][C][C][=NH1+1][C][C][N][Ring1][Branch1]

InChI: InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)/p+1

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: 2.9