Molecule ID: 20689

IUPAC Name: 2-butanoylsulfanylethyl(trimethyl)azanium

Description: The molecule is a quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.

SMILES: CCCC(=O)SCC[N+](C)(C)C

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

InChI: InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1

Molecular Properties:
- Polar Surface Area: 42.4 Ų
- LogP: 1.5