Molecule ID: 2582

IUPAC Name: (4-methoxy-4-oxobutyl)-trimethylazanium

Description: The molecule is a methyl ester resulting from the formal condensation of the carboxy group of 4-(trimethylammonio)butanoic acid with methanol. It is a quaternary ammonium ion and a methyl ester. It derives from a 4-(trimethylammonio)butanoic acid.

SMILES: COC(=O)CCC[N+](C)(C)C

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

InChI: InChI=1S/C8H18NO2/c1-9(2,3)7-5-6-8(10)11-4/h5-7H2,1-4H3/q+1

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 0.8