Pyridinium, 1,1'-[[2-(methoxycarbonyl)-1,4-phenylene]bis(methylene)]bis- | SBID = 1857 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C20H20N2O2++ | ||
| M / g/mol: | 320.39 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Pyridinium, 1,1'-[[2-(methoxycarbonyl)-1,4-phenylene]bis(methylene)]bis-
- Preferred Abbreviation: Pyridinium, 1,1'-[[2-(methoxycarbonyl)-1,4-phenylene]bis(methylene)]bis-
- IUPAC Name: Pyridinium, 1,1'-[[2-(methoxycarbonyl)-1,4-phenylene]bis(methylene)]bis-
- CAS: 1259363-26-2
- CID: -777
- InChiKey: LJJLQDCYNCTNOE-UHFFFAOYSA-N
- InChi: InChI=1S/C20H20N2O2/c1-24-20(23)19-14-17(15-21-10-4-2-5-11-21)8-9-18(19)16-22-12-6-3-7-13-22/h2-14H,15-16H2,1H3/q+2
- CanoSmiles: O=C(OC)C1=CC(C[N+]2=CC=CC=C2)=CC=C1C[N+]3=CC=CC=C3
- IsoSmiles: O=C(OC)C1=CC(C[N+]2=CC=CC=C2)=CC=C1C[N+]3=CC=CC=C3
