Molecule ID: 91828260

IUPAC Name: [5-[(1R)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-2-yl] acetate

Description: The molecule is an organic cation resulting from the protonation of the amino group of (R)-prasugrel. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (R)-prasugrel. It is an enantiomer of a (S)-prasugrel(1+).

SMILES: CC(=O)Oc1cc2c(s1)CC[NH+]([C@@H](C(=O)C1CC1)c1ccccc1F)C2

SELFIES: [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][NH1+1][Branch2][Ring1][=Branch1][C@@H1][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/p+1/t19-/m1/s1

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.6