Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, benzenesulfonate
Basic information
- CAS
66827-20-1- Standard SMILES
CC(C[N+](C)(C)C)N1c2ccccc2Sc2cccnc21.O=S(=O)([O-])c1ccccc1- InChIKey
BEVGQIJCLIQRRX-UHFFFAOYSA-M- Molecular formula
- C23H27N3O3S2
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.14938408
Names & identifiers
- Preferred name
- Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, benzenesulfonate
- IUPAC
- benzenesulfonate;trimethyl(2-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)azanium
Names & synonyms
D 272Ammonium, (2-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)trimethyl-, benzenesulfonate66827-20-1RefChem:318718DTXSID00985388N,N,N-trimethyl-2-(10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-aminium benzenesulfonate
Database identifiers
- CAS
66827-20-1- PubChem CID
- 48055
- DTXSID
DTXSID00985388
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 525
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Compound notes
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