Molecule ID: 40462364

IUPAC Name: 1-[(2R)-1-(2-benzylphenoxy)propan-2-yl]piperidin-1-ium

Description: The molecule is an ammonium ion resulting from the protonation of the nitrogen of (R)-benproperine. It is a conjugate acid of a (R)-benproperine. It is an enantiomer of a (S)-benproperine(1+).

SMILES: C[C@H](COc1ccccc1Cc1ccccc1)[NH+]1CCCCC1

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

InChI: InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3/p+1/t18-/m1/s1

Molecular Properties:
- Polar Surface Area: 13.7 Ų
- LogP: 5.1