Molecule ID: 86289477

IUPAC Name: (1S,5R)-8-methyl-3-[(4-nitrophenoxy)-phenylphosphoryl]oxy-8-azoniabicyclo[3.2.1]octane

Description: The molecule is an organic phosphonate that is phenylphosphonic acid diesterified with tropinium and 4-nitrophenol. It derives from a tropinium and a 4-nitrophenol.

SMILES: C[NH+]1[C@@H]2CC[C@H]1CC(OP(=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1)C2

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

InChI: InChI=1S/C20H23N2O5P/c1-21-16-7-8-17(21)14-19(13-16)27-28(25,20-5-3-2-4-6-20)26-18-11-9-15(10-12-18)22(23)24/h2-6,9-12,16-17,19H,7-8,13-14H2,1H3/p+1/t16-,17+,19?,28?

Molecular Properties:
- Polar Surface Area: 85.8 Ų
- LogP: 3.9