Molecule ID: 4685776

IUPAC Name: 4-[2-(4-methoxyphenyl)sulfanylethyl]pyridin-1-ium

Description: The molecule is a pyridinium ion obtained by protonation of the pyridine nitrogen of GS4012 free base. It is a conjugate acid of a GS4012 free base.

SMILES: COc1ccc(SCCc2cc[nH+]cc2)cc1

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

InChI: InChI=1S/C14H15NOS/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3/p+1

Molecular Properties:
- Polar Surface Area: 48.7 Ų
- LogP: 3.5