Molecule ID: 6918933

IUPAC Name: [(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-dimethylazanium

Description: The molecule is an organic cation obtained by protonation of the tertiary amino group of (R,R)-tramadol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (R,R)-tramadol. It is an enantiomer of a (S,S)-tramadol(1+).

SMILES: COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1

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

InChI: InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m1/s1

Molecular Properties:
- Polar Surface Area: 33.9 Ų
- LogP: 3.2