Basic information
- CAS
13388-13-1- Standard SMILES
CC(COCC1CC2c3ccccc3C1c1ccccc12)[N+](C)(C)C.[I-]- InChIKey
RPEHMPYZHFMPDD-UHFFFAOYSA-M- Molecular formula
- C23H30INO
- Average molar mass
- 463.4 g/mol
- Monoisotopic mass
- 463.13721
Names & identifiers
- Preferred name
- Ammonium, (2-(9,10-dihydro-9,10-ethanoanthracen-11-ylmethoxy)-1-methylethyl)trimethyl-, iodide
- IUPAC
- trimethyl-[1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)propan-2-yl]azanium iodide
Names & synonyms
Ammonium, (2-(9,10-dihydro-9,10-ethanoanthracen-11-ylmethoxy)-1-methylethyl)trimethyl-, iodide13388-13-1(2-(9,10-Dihydro-9,10-ethanoanthracen-11-ylmethoxy)-1-methylethyl)trimethylammonium iodide9,10-Dihydro-11-(2-dimethylaminopropoxy)methyl-9,10-ethanoanthracene methyliodide9,10-Ethanoanthracene, 9,10-dihydro-11-(2-(dimethylamino)propoxymethyl)-, methyliodideRefChem:318754DTXSID509283061-[(9,10-Dihydro-9,10-ethanoanthracen-11-yl)methoxy]-N,N,N-trimethylpropan-2-aminium iodide
Database identifiers
- CAS
13388-13-1- PubChem CID
- 25937
- DTXSID
DTXSID50928306
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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