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

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Basic information

CAS: 66827-18-7
Standard SMILES: COS(=O)(=O)[O-].C[N+](C)(C)CCN1c2ccccc2Sc2cccnc21
InChIKey: RGQVBOYHGZWJJB-UHFFFAOYSA-M
Molecular formula: C17H23N3O4S2
Average molar mass: 397.5 g/mol
Monoisotopic mass: 397.11299857

Names & identifiers

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

Names & synonyms

D 220a66827-18-7Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)ethyl)trimethyl-, methyl sulfateDTXSID90216936RefChem:318717DTXCID20139427N,N,N-Trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)ethan-1-aminium methyl sulfate

Database identifiers

CAS: 66827-18-7
PubChem CID: 48054
DTXSID: DTXSID90216936

Properties

Computed structural properties

Topological polar surface area: 116 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 419

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Compound notes

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