3-Pyrrolinium, 1-(5-(3-pyrrolino)-2,4-pentadienylidene)-, perchlorate
Basic information
- CAS
23025-73-2- Standard SMILES
C(=CC=[N+]1CC=CC1)C=CN1CC=CC1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
SYYSYOYRAULAGV-UHFFFAOYSA-M- Molecular formula
- C13H17ClN2O4
- Average molar mass
- 300.74 g/mol
- Monoisotopic mass
- 300.0876847
Names & identifiers
- Preferred name
- 3-Pyrrolinium, 1-(5-(3-pyrrolino)-2,4-pentadienylidene)-, perchlorate
- IUPAC
- 1-[5-(2,5-dihydropyrrol-1-ium-1-ylidene)penta-1,3-dienyl]-2,5-dihydropyrrole perchlorate
Names & synonyms
23025-73-23-Pyrrolinium, 1-(5-(3-pyrrolino)-2,4-pentadienylidene)-, perchlorate1-(5-(3-Pyrrolino)-2,4-pentadienylidene)-3-pyrrolinium perchlorateDTXSID60177580RefChem:282480DTXCID201000711-[5-(2,5-Dihydro-1H-pyrrol-1-yl)penta-2,4-dien-1-ylidene]-2,5-dihydro-1H-pyrrol-1-ium perchlorate
Database identifiers
- CAS
23025-73-2- PubChem CID
- 90871
- DTXSID
DTXSID60177580
Properties
Computed structural properties
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…