Molecule ID: 86290120

IUPAC Name: [(2S)-2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone;hydron

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

SMILES: CC1(C)CO[C@@](C)(CCCc2ccc(Cl)cc2)N1C(=O)n1cc[nH+]c1

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

InChI: InChI=1S/C19H24ClN3O2/c1-18(2)13-25-19(3,23(18)17(24)22-12-11-21-14-22)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3/p+1/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 47.4 Ų
- LogP: nan