Molecule ID: 1548967

IUPAC Name: methyl-[(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium

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

SMILES: C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1

SELFIES: [C][NH2+1][C][C][C@H1][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 25.8 Ų
- LogP: 4.0