N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide

HCID 60488

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Basic information

CAS: 111327-40-3
Standard SMILES: CC[N+](C)(CC)CCC(=O)N1c2ccccc2Sc2ccccc21.[Br-]
InChIKey: JCBTXNGQTHLEKV-UHFFFAOYSA-M
Molecular formula: C20H25BrN2OS
Average molar mass: 421.4 g/mol
Monoisotopic mass: 420.0871

Names & identifiers

Preferred name: N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide
IUPAC: diethyl-methyl-(3-oxo-3-phenothiazin-10-ylpropyl)azanium bromide

Names & synonyms

111327-40-3DTXSID60912115n,n-diethyl-n-methyl-3-oxo-3-(10h-phenothiazin-10-yl)propan-1-aminium bromideRefChem:1090483DTXCID301341143Diethylmethyl(2-(10-phenothiazinylcarbonyl)ethyl)ammonium bromideAMMONIUM, DIETHYLMETHYL(2-(10-PHENOTHIAZINYLCARBONYL)ETHYL)-, BROMIDE

Database identifiers

CAS: 111327-40-3
PubChem CID: 60488
DTXSID: DTXSID60912115

Properties

Computed structural properties

Topological polar surface area: 45.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 415

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