Flavopereirine perchlorate | SBID = 938 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 94.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C17H15ClN2O4 | ||
| M / g/mol: | 346.8 | ||
| Complexity: | 425.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, charged
- Name: Flavopereirine perchlorate
- Preferred Abbreviation: Flavopereirine perchlorate
- IUPAC Name: 3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium;perchlorate
- CAS: 70128-63-1
- CID: 10860937
- InChiKey: SJFWLNAQONFVEY-UHFFFAOYSA-N
- InChi: InChI=1S/C17H14N2.ClHO4/c1-2-12-7-8-16-17-14(9-10-19(16)11-12)13-5-3-4-6-15(13)18-17;2-1(3,4)5/h3-11H,2H2,1H3;(H,2,3,4,5)
- CanoSmiles: CCC1=C[N+]2=C(C=C1)C3=C(C=C2)C4=CC=CC=C4N3.[O-]Cl(=O)(=O)=O
- IsoSmiles: CCC1=C[N+]2=C(C=C1)C3=C(C=C2)C4=CC=CC=C4N3.[O-]Cl(=O)(=O)=O
