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

Systemtic Name: ethyl 4-(2-fluorophenyl)-2-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(2-fluorophenyl)-2-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-acetyl]-1H-pyrrole-3-carboxylate CAS Name: 4-(2-fluorophenyl)-2-methyl-5-[2-(4-methyl-1-piperazin-4-iumyl)-1,2-dioxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-fluorophenyl)-2-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-fluorophenyl)-5-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25FN3O4+ MolecularWeight: 402.439303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2F)C(=O)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2F)C(=O)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H24FN3O4/c1-4-29-21(28)16-13(2)23-18(17(16)14-7-5-6-8-15(14)22)19(26)20(27)25-11-9-24(3)10-12-25/h5-8,23H,4,9-12H2,1-3H3/p+1