Basic information
- CAS
30716-01-9- Standard SMILES
COc1cccc(CC[N+](C)(C)C)c1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
DPBPCMPCBNIVPI-UHFFFAOYSA-M- Molecular formula
- C19H27NO4S
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.16607952
Overview
See also: Emilium Tosylate (annotation moved to).
Names & identifiers
- Preferred name
- 2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate
- IUPAC
- 2-(3-methoxyphenyl)ethyl-trimethylazanium;4-methylbenzenesulfonate
- English name
- Emilium tosylate
- Molecular formula
- C12H20NO.C7H7O3S
- Molecular weight
- 365.491
Names & synonyms
DTXSID50952949NS001261602-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonateEmiliumEmilium tosylateEmillium tosylateEthyl(3-methoxybenzyl)dimethylaminium
Database identifiers
- CAS
30716-01-9- PubChem CID
- 170331
- DTXSID
DTXSID50952949
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- FDA UNII
- 9 QG91PY · CIQ9QG91PY
Chemistry & industry
Applications
UsesCardiac depressant (antiarrhythmic).
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…