AC1LQLA1 structure

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

CAS: 5286-70-4
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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