2-(4-ethylpiperazin-1-ium-1-yl)-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C20H27FN3O+ MolecularWeight: 344.446283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H26FN3O/c1-4-22-9-11-23(12-10-22)14-20(25)19-13-15(2)24(16(19)3)18-7-5-17(21)6-8-18/h5-8,13H,4,9-12,14H2,1-3H3/p+1