AC1LQLA1
2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-thiophen-2-ylethanone
Also Known As: Ajmalinium, N-methyl-, iodide|3-(4-fluorophenyl)-1-[2-oxo-2-(thiophen-2-yl)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium|Ajmalan-17,21-diol, (17R,21.alpha.)-, compd. with iodomethane (1:1)|2-[3-(4-fluorophenyl)(1-pyrrolino[2,1-b]imidazolyl)]-1-(2-thienyl)ethan-1-one|2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-thiophen-2-ylethanone|3-(4-fluorophenyl)-1-[2-oxo-2-(thiophen-2-yl)ethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
| Molecular Formula | C18H16FN2OS+ |
|---|---|
| Molecular Weight | 327.09674 g/mol |
| LogP | 3.4723 |
| Topological Polar Surface Area | 25.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.09674 |
| Monoisotopic Mass | 327.09674 |
| Heavy Atoms | 23 |
| Complexity | 850.0364 |
Chemical Identifiers
| CAS Number | 5286-70-4 |
|---|---|
| SMILES | C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)F)CC(=O)C4=CC=CS4 |
Product Overview
AC1LQLA1 (CAS 5286-70-4), with molecular formula C18H16FN2OS+ and molecular weight 327.09674 g/mol. IUPAC: 2-[3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-thiophen-2-ylethanone.
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