Basic information
- CAS
63981-58-8- Standard SMILES
CNC(=O)Oc1cc([N+](C)(C)C)ccc1C1CCCCC1.[I-]- InChIKey
BHJWUKSYUZOZQQ-UHFFFAOYSA-N- Molecular formula
- C17H27IN2O2
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 418.11173
Names & identifiers
- Preferred name
- (2-Cyclohexyl-5-(trimethylazaniumyl)phenoxy)(methylimino)methanolate--hydrogen iodide (1/1)
- IUPAC
- [4-cyclohexyl-3-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide
Names & synonyms
63981-58-8DTXSID60981624(2-Cyclohexyl-5-(trimethylazaniumyl)phenoxy)(methylimino)methanolate--hydrogen iodide (1/1)RefChem:1049680DTXCID601408893Carbamic acid, methyl-, (2-cyclohexyl-5-(trimethylammonio)phenyl) ester, iodideNIOSH/BP5782000BP57820000(4-Cyclohexyl-3-hydroxyphenyl)trimethylammonium iodide methylcarbamateMethiodide of N-methylurethane of 3-dimethylamino-6-cyclohexylphenolAmmonium, (4-cyclohexyl-3-hydroxyphenyl)trimethyl-, iodide, methylcarbamateT-1778
Show more names
Ammonium, ((4-cyclohexyl-3-methylcarbamoyloxy)phenyl)trimethyl-, iodideCarbamic acid, N-methyl-, 2-cyclohexyl-5-dimethylaminophenyl ester, methiodideAMMONIUM, ((3-HYDROXY-4-CYCLOHEXYL)PHENYL)TRIMETHYL-, IODIDE, METHYLCARBAMATE
Database identifiers
- CAS
63981-58-8- PubChem CID
- 45971
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…