Methyl pyridinium paracyclophane iodide | SBID = 195 | Compound |
Structure
Molecular Properties
| Interactions: | 23 | ||
| PubChem TPSA/Å2: | 3.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C22H22IN | ||
| M / g/mol: | 427.3 | ||
| Complexity: | 362.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, charged
- Name: Methyl pyridinium paracyclophane iodide
- Preferred Abbreviation: MPCP
- IUPAC Name: 1-methyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyridin-1-ium;iodide
- CAS:
- CID: 138403282
- InChiKey: HTDJDZOPDBAGQF-UHFFFAOYSA-M
- InChi: InChI=1S/C22H22N.HI/c1-23-14-12-21(13-15-23)22-16-19-7-6-17-2-4-18(5-3-17)8-10-20(22)11-9-19;/h2-5,9,11-16H,6-8,10H2,1H3;1H/q+1;/p-1
- CanoSmiles: C[N+]1=CC=C(C=C1)C2=C3CCC4=CC=C(CCC(=C2)C=C3)C=C4.[I-]
- IsoSmiles: C[N+]1=CC=C(C=C1)C2=C3CCC4=CC=C(CCC(=C2)C=C3)C=C4.[I-]
