Basic information
- CAS
23996-86-3- Standard SMILES
C(=CC=[N+]1CCCCCCCC1)C=CN1CCCCCCCC1.[Cl-]- InChIKey
QQIPHBFWQUGFGX-UHFFFAOYSA-M- Molecular formula
- C21H37ClN2
- Average molar mass
- 353 g/mol
- Monoisotopic mass
- 352.2645269
Overview
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Names & identifiers
- Preferred name
- 1-[5-(Azonan-1-yl)penta-2,4-dien-1-ylidene]azonan-1-ium chloride
- IUPAC
- 1-[5-(azonan-1-ium-1-ylidene)penta-1,3-dienyl]azonane chloride
Names & synonyms
1-[5-(Azonan-1-yl)penta-2,4-dien-1-ylidene]azonan-1-ium chlorideDTXSID30946841
Database identifiers
- CAS
23996-86-3- PubChem CID
- 32177
- DTXSID
DTXSID30946841
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
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Compound notes
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