2-[[1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[1-(3-chloro-4-fluoro-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[[1-(3-chloro-4-fluorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[1-(3-chloro-4-fluoro-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]ethyl]-methyl-ammonium Formula: C21H24ClFN3O2+ MolecularWeight: 404.885563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O2/c1-25(13-15-5-3-2-4-6-15)10-9-24-21(28)16-11-20(27)26(14-16)17-7-8-19(23)18(22)12-17/h2-8,12,16H,9-11,13-14H2,1H3,(H,24,28)/p+1