N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide
Basic information
- CAS
77985-02-5- Standard SMILES
C[N+](C)(C)CCN1c2ccccc2Sc2ccccc21.[I-]- InChIKey
NUBUGWJISZCDCY-UHFFFAOYSA-M- Molecular formula
- C17H21IN2S
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 412.04702
Names & identifiers
- Preferred name
- N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide
- IUPAC
- trimethyl(2-phenothiazin-10-ylethyl)azanium iodide
Names & synonyms
77985-02-5DTXSID60999224N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodideRefChem:1090342DTXCID101426199Trimethyl(2-phenothiazin-10-ylethyl)ammonium iodide(2-(10-Phenothiazinyl)ethyl)trimethylammonium iodideN-(beta-Dimethylamino-ethyl)-phenothiazine-metho-iodidePhenothiazine, 10-(2-(dimethylamino)ethyl)-, methyliodide10H-Phenothiazine-10-ethanaminium, N,N,N-trimethyl-, iodideAMMONIUM, (2-(10-PHENOTHIAZINYL)ETHYL)TRIMETHYL-, IODIDE
Database identifiers
- CAS
77985-02-5- PubChem CID
- 54012
- DTXSID
DTXSID60999224
Properties
Computed structural properties
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
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Compound notes
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