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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxidanylidene-ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxo-acetyl]-1H-pyrrole-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[(4-methyl-1-piperazin-4-iumyl)amino]-1,2-dioxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxoacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-[2-keto-2-[(4-methylpiperazin-4-ium-1-yl)amino]acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26FN4O4+ MolecularWeight: 417.453943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NN3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NN3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H25FN4O4/c1-4-30-21(29)16-13(2)23-18(17(16)14-5-7-15(22)8-6-14)19(27)20(28)24-26-11-9-25(3)10-12-26/h5-8,23H,4,9-12H2,1-3H3,(H,24,28)/p+1