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

Systemtic Name: 2-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxidanylidene-ethanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxo-acetyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-1,2-dioxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-[4-ethoxycarbonyl-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-oxoacetyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-[4-carbethoxy-3-(2-fluorophenyl)-5-methyl-1H-pyrrol-2-yl]-2-keto-acetyl]amino]ethyl-diethyl-ammonium Formula: C22H29FN3O4+ MolecularWeight: 418.481763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=CC=C2F

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C(=O)C1=C(C(=C(N1)C)C(=O)OCC)C2=CC=CC=C2F

InChI

InChI=1S/C22H28FN3O4/c1-5-26(6-2)13-12-24-21(28)20(27)19-18(15-10-8-9-11-16(15)23)17(14(4)25-19)22(29)30-7-3/h8-11,25H,5-7,12-13H2,1-4H3,(H,24,28)/p+1