Molecule ID: 59040790

IUPAC Name: trimethyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]azanium

Description: The molecule is an acylcholine obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of choline. It derives from an oleic acid.

SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC[N+](C)(C)C

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C23H46NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4/h12-13H,5-11,14-22H2,1-4H3/q+1/b13-12-

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 7.6