Ammonium, (3-(dibenzo(b,e)thiepin-11(6H)-ylidene)propyl)trimethyl-, iodide, trans-
Basic information
- CAS
73149-99-2- Standard SMILES
C[N+](C)(C)CC/C=C1\c2ccccc2CSc2ccccc21.[I-]- InChIKey
HMJQVELQWNJCEX-XMMWENQYSA-M- Molecular formula
- C20H24INS
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 437.06742
Names & identifiers
- Preferred name
- Ammonium, (3-(dibenzo(b,e)thiepin-11(6H)-ylidene)propyl)trimethyl-, iodide, trans-
- IUPAC
- [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethylazanium iodide
Names & synonyms
Ammonium, (3-(dibenzo(b,e)thiepin-11(6H)-ylidene)propyl)trimethyl-, iodide, trans-73149-99-2RefChem:1076746trans-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propyltrimethylammonium iodide1-Propanaminium, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-N,N,N-trimethyl-, iodide, (E)-AKOS005065736
Database identifiers
- CAS
73149-99-2- PubChem CID
- 6447294
Properties
Computed structural properties
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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