Basic information
- CAS
64070-88-8- Standard SMILES
CC(=O)NC(CC(C)[N+](C)(C)C)(c1ccccc1)c1ccccc1.[I-]- InChIKey
YIWXBCXYQCEEPG-UHFFFAOYSA-N- Molecular formula
- C21H29IN2O
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.13246
Names & identifiers
- Preferred name
- Ammonium, 4-acetamido-4,4-diphenyl-2-butyltrimethyl-, iodide
- IUPAC
- (4-acetamido-4,4-diphenylbutan-2-yl)-trimethylazanium iodide
Names & synonyms
BL 401AMMONIUM, 4-ACETAMIDO-4,4-DIPHENYL-2-BUTYLTRIMETHYL-, IODIDE4-Acetamido-4,4-diphenyl-2-butyltrimethyl ammonium iodide64070-88-8RefChem:319145
Database identifiers
- CAS
64070-88-8- PubChem CID
- 47276
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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