2-[2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]ethanoylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]ethanoylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]acetyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methyl-1-pyrrolyl]-1-oxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-[3-ethoxycarbonyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]acetyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-[3-carbethoxy-5-(4-fluorophenyl)-2-methyl-pyrrol-1-yl]acetyl]amino]ethyl-diethyl-ammonium Formula: C22H31FN3O3+ MolecularWeight: 404.498243

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CN1C(=C(C=C1C2=CC=C(C=C2)F)C(=O)OCC)C

InChI

InChI=1S/C22H30FN3O3/c1-5-25(6-2)13-12-24-21(27)15-26-16(4)19(22(28)29-7-3)14-20(26)17-8-10-18(23)11-9-17/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,24,27)/p+1