Basic information
- CAS
63981-60-2- Standard SMILES
CNC(=O)Oc1ccc([N+](C)(C)C)c(C2CCCC2)c1.[I-]- InChIKey
SQLBIEVXELXFRZ-UHFFFAOYSA-N- Molecular formula
- C16H25IN2O2
- Average molar mass
- 404.29 g/mol
- Monoisotopic mass
- 404.09608
Names & identifiers
- Preferred name
- Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- [2-cyclopentyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Names & synonyms
TL-1416Carbamic acid, methyl-, (3-cyclopentyl-4-trimethylammonio)phenyl ester, iodideAMMONIUM, ((4-HYDROXY-2-CYCLOPENTYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATEAmmonium, ((2-cyclopentyl-4-methylcarbamoyloxy)phenyl)trimethyl-, iodideCarbamic acid, N-methyl-, 3-cyclopentyl-4-dimethylaminophenyl ester, methiodide63981-60-2RefChem:318643
Database identifiers
- CAS
63981-60-2- PubChem CID
- 45975
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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