Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, methyl sulfate
Basic information
- CAS
66827-22-3- Standard SMILES
CC(C[N+](C)(C)C)N1c2ccccc2Sc2cccnc21.COS(=O)(=O)[O-]- InChIKey
CBDLIADAAWYOCL-UHFFFAOYSA-M- Molecular formula
- C18H25N3O4S2
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.12864863
Names & identifiers
- Preferred name
- Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, methyl sulfate
- IUPAC
- methyl sulfate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Names & synonyms
D 207Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, methyl sulfate66827-22-3RefChem:318721DTXSID70985390N,N,N-Trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium methyl sulfate
Database identifiers
- CAS
66827-22-3- PubChem CID
- 48058
- DTXSID
DTXSID70985390
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 445
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…