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2D Structure
Also known as: Vasoklin, Opilon, M-101, Moxisylyte hcl, Wv 365, Wk2kzm9v6x
Molecular Formula
C16H26ClNO3
Molecular Weight
315.83  g/mol
InChI Key
IPWGSXZCDPTDEH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;chloride
2.1.2 InChI
InChI=1S/C16H25NO3.ClH/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;/h9-11H,7-8H2,1-6H3;1H
2.1.3 InChI Key
IPWGSXZCDPTDEH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC[NH+](C)C.[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Vasoklin

2. Opilon

3. M-101

4. Moxisylyte Hcl

5. Wv 365

6. Wk2kzm9v6x

7. Enfrental

8. Limatene

9. 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;chloride

10. [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] Acetate;hydron;chloride

11. 5-(2-(n,n-dimethylamino)ethoxy)carvacrol Acetate Hydrochloride

12. Einecs 213-519-4

13. Nsc 170448

14. Unii-wk2kzm9v6x

15. Dtxsid9046946

16. Chlorhydrate De Acetoxy-thymoxy-ethyl-dimethylamine [french]

17. (2-(4-acetoxy-2-isopropyl-5-methylphenoxy)ethyl)dimethylamine Hydrochloride

18. Carvacrol, 5-(2-(dimethylamino)ethoxy)-, Acetate (ester), Hydrochloride

19. Carvacrol, 5-(2-(n,n-dimethylamino)ethoxy)-, Acetate, Hydrochloride

20. Phenol, 4-(2-(dimethylamino)ethoxy)-2-methyl-5-(1-methylethyl)-, Acetate (ester), Hydrochloride

21. Chlorhydrate De Acetoxy-thymoxy-ethyl-dimethylamine

2.3 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 315.83 g/mol
Molecular Formula C16H26ClNO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass315.1601214 g/mol
Monoisotopic Mass315.1601214 g/mol
Topological Polar Surface Area40 Ų
Heavy Atom Count21
Formal Charge0
Complexity304
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2