Basic information
- CAS
77587-86-1- Standard SMILES
CCCC(O)[NH+](Cc1c(-c2ccc(OC)cc2)[nH]c2ccccc12)C1=NCCN1.[I-]- InChIKey
GNHRXEMHAXDENU-UHFFFAOYSA-N- Molecular formula
- C23H29IN4O2
- Average molar mass
- 520.4 g/mol
- Monoisotopic mass
- 520.13352
Names & identifiers
- Preferred name
- 1-Butanol, 1-(N-(2-imidazolin-2-yl)-N-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)-, hydriodide
- IUPAC
- 4,5-dihydro-1H-imidazol-2-yl-(1-hydroxybutyl)-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium iodide
Names & synonyms
77587-86-11-Butanol, 1-(N-(2-imidazolin-2-yl)-N-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)-, hydriodideRefChem:228791
Database identifiers
- CAS
77587-86-1- PubChem CID
- 53692
Properties
Computed structural properties
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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