Ammonium, (2-hydroxy-3-methoxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester)

HCID 48658

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Basic information

CAS: 66967-82-6
Standard SMILES: COc1cccc([N+](C)(C)C)c1OC(=O)N(C)C.[I-]
InChIKey: OSCUHEFCIGYHGZ-UHFFFAOYSA-M
Molecular formula: C13H21IN2O3
Average molar mass: 380.22 g/mol
Monoisotopic mass: 380.05969

Names & identifiers

Preferred name: Ammonium, (2-hydroxy-3-methoxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester)
IUPAC: [2-(dimethylcarbamoyloxy)-3-methoxyphenyl]-trimethylazanium iodide

Names & synonyms

66967-82-6Ro 2-2113(2-Hydroxy-3-methoxyphenyl)trimethylammonium iodide dimethylcarbamate (ester)Ammonium, (2-hydroxy-3-methoxyphenyl)trimethyl-, iodide, dimethylcarbamate (ester)RefChem:318792DTXSID909857162-[(Dimethylcarbamoyl)oxy]-3-methoxy-N,N,N-trimethylanilinium iodide

Database identifiers

CAS: 66967-82-6
PubChem CID: 48658
DTXSID: DTXSID90985716

Properties

Computed structural properties

Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 286

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