Molecule ID: 71768094

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazin-4-ium

Description: The molecule is an organic cation that is the conjugate acid of vortioxetine, obtained by protonation of the secondary amino function. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a vortioxetine.

SMILES: Cc1ccc(Sc2ccccc2N2CC[NH2+]CC2)c(C)c1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][NH2+1][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3/p+1

Molecular Properties:
- Polar Surface Area: 45.2 Ų
- LogP: 4.2