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

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Basic information

CAS: 66827-26-7
Standard SMILES: C[N+](C)(C)CCCN1c2ccccc2Sc2cccnc21.Cc1ccc(S(=O)(=O)[O-])cc1
InChIKey: KMKJBRGIOGKDAE-UHFFFAOYSA-M
Molecular formula: C24H29N3O3S2
Average molar mass: 471.6 g/mol
Monoisotopic mass: 471.16503414

Names & identifiers

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

Names & synonyms

D 273Ammonium, (3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, p-toluenesulfonate66827-26-7DTXSID10216938RefChem:318835DTXCID40139429N,N,N-Trimethyl-3-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium 4-methylbenzene-1-sulfonate

Database identifiers

CAS: 66827-26-7
PubChem CID: 48062
DTXSID: DTXSID10216938

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 32
Formal charge: 0
Complexity: 534

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Compound notes

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