3-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[4-carbethoxy-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C21H27FN3O4+ MolecularWeight: 404.455183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4/c1-5-29-21(28)16-13(2)24-18(17(16)14-9-6-7-10-15(14)22)19(26)20(27)23-11-8-12-25(3)4/h6-7,9-10,24H,5,8,11-12H2,1-4H3,(H,23,27)/p+1