Molecule ID: 10547

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

Description: The molecule is the iodide salt of ecothiopate. An irreversible acetylcholinesterase inhibitor, it is used an ocular antihypertensive in the treatment of open-angle glaucoma, particularly when other drugs have proved inadequate. It has a role as an antiglaucoma drug, an EC 3.1.1.8 (cholinesterase) inhibitor and a miotic. It is an iodide salt and a quaternary ammonium salt. It contains an ecothiopate.

SMILES: CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-]

SELFIES: [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][S][C][C][N+1][Branch1][C][C][Branch1][C][C][C].[I-1]

InChI: InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 60.8 Ų
- LogP: nan