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

HCID 48052

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Basic information

CAS: 66827-16-5
Standard SMILES: C[N+](C)(C)CCN1c2ccccc2Sc2cccnc21.[I-]
InChIKey: VUBZLYNABYMJDP-UHFFFAOYSA-M
Molecular formula: C16H20IN3S
Average molar mass: 413.3 g/mol
Monoisotopic mass: 413.04227

Names & identifiers

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

Names & synonyms

D 220AMMONIUM, (2-(10H-PYRIDO(3,2-b)(1,4)BENZOTHIAZIN-10-YL)ETHYL)TRIMETHYL-, IODIDE66827-16-5RefChem:318716DTXSID40985387N,N,N-Trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)ethan-1-aminium iodide

Database identifiers

CAS: 66827-16-5
PubChem CID: 48052
DTXSID: DTXSID40985387

Properties

Computed structural properties

Topological polar surface area: 41.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 328

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