1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-1-ium) | SBID = 1873 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| 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: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C17H22N2O2++ | ||
| M / g/mol: | 286.36878 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest, charged
- Name: 1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-1-ium)
- Preferred Abbreviation: 1,1'-(3-(methoxycarbonyl)pentane-1,5-diyl)bis(pyridin-1-ium)
- IUPAC Name: Pyridinium, 1,1'-[3-(methoxycarbonyl)-1,5-pentanediyl]bis-
- CAS: 1259363-24-0
- CID: -786
- InChiKey: GZHCKRASSPQMBW-UHFFFAOYSA-N
- InChi: InChI=1S/C17H22N2O2/c1-21-17(20)16(8-14-18-10-4-2-5-11-18)9-15-19-12-6-3-7-13-19/h2-7,10-13,16H,8-9,14-15H2,1H3/q+2
- CanoSmiles: COC(=O)C(CC[n+]1ccccc1)CC[n+]1ccccc1
- IsoSmiles: O=C(OC)C(CC[N+]1=CC=CC=C1)CC[N+]2=CC=CC=C2
