1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-fluorophenyl)-2-[3-(1-pyrrolylmethyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone bromide Formula: C18H16BrFN2O MolecularWeight: 375.234843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CC2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)F.[Br-]

Isomeric SMILES

C1=CN(C=C1)CC2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)F.[Br-]

InChI

InChI=1S/C18H16FN2O.BrH/c19-17-7-5-16(6-8-17)18(22)14-21-11-3-4-15(13-21)12-20-9-1-2-10-20;/h1-11,13H,12,14H2;1H/q+1;/p-1