Molecule ID: 134692067

IUPAC Name: 3-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]-1H-imidazol-3-ium

Description: The molecule is an imidazolium ion resulting from the protonation of the nitrogen at position 3 of the imidazole group of neticonazole. It is a conjugate acid of a neticonazole.

SMILES: CCCCCOc1ccccc1/C(=C\SC)n1cc[nH+]c1

SELFIES: [C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=Branch1][Ring2][=C][\S][C][N][C][=C][NH1+1][=C][Ring1][Branch1]

InChI: InChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/p+1/b16-13+

Molecular Properties:
- Polar Surface Area: 54.2 Ų
- LogP: 4.3