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

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Basic information

CAS: 66827-21-2
Standard SMILES: CC(C[N+](C)(C)C)N1c2ccccc2Sc2cccnc21.[Br-]
InChIKey: DNRPCACHVPBEAZ-UHFFFAOYSA-M
Molecular formula: C17H22BrN3S
Average molar mass: 380.3 g/mol
Monoisotopic mass: 379.07178

Names & identifiers

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

Names & synonyms

66827-21-2(2-(10H-Pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethylammonium bromideAmmonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, bromideRefChem:318719DTXSID60985389N,N,N-trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium bromide

Database identifiers

CAS: 66827-21-2
PubChem CID: 48057
DTXSID: DTXSID60985389

Properties

Computed structural properties

Topological polar surface area: 41.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 354

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