Molecule ID: 3014051

IUPAC Name: 2-acetylsulfanylpropyl(trimethyl)azanium;iodide

Description: The molecule is a quaternary ammonium salt that is the monoiodide salt of acetyl-beta-methylthiocholine. It is a quaternary ammonium salt, an organic iodide salt and a thioester. It contains an acetyl-beta-methylthiocholine.

SMILES: CC(=O)SC(C)C[N+](C)(C)C.[I-]

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

InChI: InChI=1S/C8H18NOS.HI/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1

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