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

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-1-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H27FN3O2+ MolecularWeight: 372.456383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C(=O)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C(=O)C)C)F

InChI

InChI=1S/C21H26FN3O2/c1-14-5-6-18(12-20(14)22)25-15(2)11-19(16(25)3)21(27)13-23-7-9-24(10-8-23)17(4)26/h5-6,11-12H,7-10,13H2,1-4H3/p+1