1-[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C20H24ClFN3O2+ MolecularWeight: 392.874863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H23ClFN3O2/c1-13-10-17(14(2)25(13)16-4-5-19(22)18(21)11-16)20(27)12-23-6-8-24(9-7-23)15(3)26/h4-5,10-11H,6-9,12H2,1-3H3/p+1