1-[5-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H26FN3O3/c1-13-19(15(3)26)14(2)23-20(13)21(27)25-9-7-24(8-10-25)12-16-5-6-18(28-4)17(22)11-16/h5-6,11,23H,7-10,12H2,1-4H3/p+1