10H-Phenothiazine-10-ethanaminium, N-ethyl-N,N,alpha-trimethyl-, ethyl sulfate (1:1)
Basic information
- CAS
60-88-8- Standard SMILES
CCOS(=O)(=O)[O-].CC[N+](C)(C)C(C)CN1c2ccccc2Sc2ccccc21- InChIKey
ZRLOSIIRXMKPBX-UHFFFAOYSA-M- Molecular formula
- C21H30N2O4S2
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.16469979
Names & identifiers
- Preferred name
- 10H-Phenothiazine-10-ethanaminium, N-ethyl-N,N,alpha-trimethyl-, ethyl sulfate (1:1)
- IUPAC
- ethyl-dimethyl-(1-phenothiazin-10-ylpropan-2-yl)azanium;ethyl sulfate
Names & synonyms
60-88-8RefChem:105729510H-Phenothiazine-10-ethanaminium, N-ethyl-N,N,alpha-trimethyl-, ethyl sulfate (1:1)Dimethylethyl(1-methyl-2-(10-phenothiazinyl)ethyl)ammonium ethyl sulfateWU 2505n-ethyl-n,n-dimethyl-1-(10h-phenothiazin-10-yl)propan-2-aminium ethyl sulfateDTXSID40975420N-(2-Dimethylaethylammonium-2-methyl-aethyl)phenothiazin-aethosulfat [German]10H-Phenothiazine-10-ethanamininium, N-ethyl-N,N,alpha-trimethyl-, ethyl sulfateAMMONIUM, DIMETHYLETHYL(1-METHYL-2-PHENOTHIAZIN-10-YLETHYL)-, ETHYL SULFATEN-(2-Dimethylaethylammonium-2-methyl-aethyl)phenothiazin-aethosulfat
Database identifiers
- CAS
60-88-8- PubChem CID
- 6073
- DTXSID
DTXSID40975420
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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