Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, ethyl sulfate

HCID 48178

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Basic information

CAS: 66859-40-3
Standard SMILES: CC(C[N+](C)(C)C)N1c2ccccc2Sc2cccnc21.CCOS(=O)(=O)[O-]
InChIKey: NYZBJKVPWHHEOI-UHFFFAOYSA-M
Molecular formula: C19H27N3O4S2
Average molar mass: 425.6 g/mol
Monoisotopic mass: 425.1442987

Names & identifiers

Preferred name: Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, ethyl sulfate
IUPAC: ethyl sulfate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium

Names & synonyms

D 266Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, ethyl sulfate66859-40-3RefChem:318720DTXSID40985468N,N,N-trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium ethyl sulfate

Database identifiers

CAS: 66859-40-3
PubChem CID: 48178
DTXSID: DTXSID40985468

Properties

Computed structural properties

Topological polar surface area: 116 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 458

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