2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-pyrrol-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-pyrrolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-pyrrole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C22H24ClFN3O+ MolecularWeight: 400.896863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C22H23ClFN3O/c1-15-20(22(28)25-12-13-26(2)3)14-21(16-4-6-17(23)7-5-16)27(15)19-10-8-18(24)9-11-19/h4-11,14H,12-13H2,1-3H3,(H,25,28)/p+1