Molecule ID: 439773

IUPAC Name: (3-carboxy-2-oxopropyl)-trimethylazanium

Description: The molecule is a quaternary ammonium ion that is the conjugate acid of 3-dehydrocarnitine. It has a role as a human metabolite. It derives from a carnitinium. It is a conjugate acid of a 3-dehydrocarnitine.

SMILES: C[N+](C)(C)CC(=O)CC(=O)O

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

InChI: InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3/p+1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: -0.3