Molecule ID: 122164815

IUPAC Name: 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate;propan-2-ylazanium

Description: The molecule is an organoammonium salt resulting from the formal reaction of the carboxy group of (R)-imazapyr with isopropylamine. It contains an isopropylaminium and a (R)-imazapyr(1-). It is an enantiomer of a (S)-imazapyr-isopropylammonium.

SMILES: CC(C)N.CC(C)[C@@]1(C)NC(c2ncccc2C(=O)O)=NC1=O

SELFIES: [C][C][Branch1][C][C][N].[C][C][Branch1][C][C][C@@][Branch1][C][C][N][C][Branch1][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=N][C][Ring1][#C][=O]

InChI: InChI=1S/C13H15N3O3.C3H9N/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9;1-3(2)4/h4-7H,1-3H3,(H,17,18)(H,15,16,19);3H,4H2,1-2H3/t13-;/m1./s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: nan