ethyl 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-ethyl-1-piperazin-4-iumyl)-1,2-dioxoethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoacetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-acetyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H27FN3O4+ MolecularWeight: 416.465883

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O4/c1-4-25-10-12-26(13-11-25)21(28)20(27)19-18(15-6-8-16(23)9-7-15)17(14(3)24-19)22(29)30-5-2/h6-9,24H,4-5,10-13H2,1-3H3/p+1