Molecule ID: 5280385

IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium

Description: The molecule is an acylcholine in which the acyl group specified is sinapoyl. It has a role as a photosynthetic electron-transport chain inhibitor, an antioxidant and a plant metabolite. It derives from a trans-sinapic acid.

SMILES: COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O

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

InChI: InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1

Molecular Properties:
- Polar Surface Area: 65.0 Ų
- LogP: 1.8