Pyridinium, 1,1'-[(2-carboxy-1,4-phenylene)bis(methylene)]bis-, chloride | SBID = 1856 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C19H18N2O2++ | ||
| M / g/mol: | 306.35842 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Pyridinium, 1,1'-[(2-carboxy-1,4-phenylene)bis(methylene)]bis-, chloride
- Preferred Abbreviation: Pyridinium, 1,1'-[(2-carboxy-1,4-phenylene)bis(methylene)]bis-
- IUPAC Name: Pyridinium, 1,1'-[(2-carboxy-1,4-phenylene)bis(methylene)]bis-, chloride
- CAS: 1359052-77-9
- CID: -776
- InChiKey: OQBZTYVPDOUKAR-UHFFFAOYSA-O
- InChi: InChI=1S/C19H17N2O2/c22-19(23)18-13-16(14-20-9-3-1-4-10-20)7-8-17(18)15-21-11-5-2-6-12-21/h1-13H,14-15H2/q+1/p+1
- CanoSmiles: OC(=O)c1cc(ccc1C[n+]1ccccc1)C[n+]1ccccc1
- IsoSmiles: O=C(O)C1=CC(C[N+]2=CC=CC=C2)=CC=C1C[N+]3=CC=CC=C3
