Molecule ID: 86290114

IUPAC Name: 1-[(2R)-2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;hydron

Description: The molecule is an organic cation obtained by protonation of the imidazole group of (R)-isoconazole. It is a conjugate acid of a (R)-isoconazole. It is an enantiomer of a (S)-isoconazole(1+).

SMILES: Clc1ccc([C@H](Cn2cc[nH+]c2)OCc2c(Cl)cccc2Cl)c(Cl)c1

SELFIES: [Cl][C][=C][C][=C][Branch2][Ring1][#Branch2][C@H1][Branch1][=Branch2][C][N][C][=C][NH1+1][=C][Ring1][Branch1][O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/p+1/t18-/m0/s1

Molecular Properties:
- Polar Surface Area: 27.0 Ų
- LogP: nan