3-[[1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[1-(3-chloro-4-fluoro-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[1-(3-chloro-4-fluorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[1-(3-chloro-4-fluoro-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]propyl]-methyl-ammonium Formula: C22H26ClFN3O2+ MolecularWeight: 418.912143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2)F)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H25ClFN3O2/c1-26(14-16-6-3-2-4-7-16)11-5-10-25-22(29)17-12-21(28)27(15-17)18-8-9-20(24)19(23)13-18/h2-4,6-9,13,17H,5,10-12,14-15H2,1H3,(H,25,29)/p+1