Molecule ID: 440727

IUPAC Name: [(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-trimethylazanium

Description: The molecule is a quaternary ammonium ion obtained by the protonation of the carboxy function of N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine. It is a conjugate acid of a N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine.

SMILES: C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.0 Ų
- LogP: 0.0