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

Systemtic Name: 2-[[1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]ethyl-bis(2-methylpropyl)azanium Openeye Name: 2-[[1-(3-chloro-4-fluoro-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]ethyl-diisobutyl-ammonium CAS Name: 2-[[[1-(3-chloro-4-fluorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]ethyl-bis(2-methylpropyl)ammonium IUPAC Name: 2-[[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl-bis(2-methylpropyl)azanium Traditional Name: 2-[[1-(3-chloro-4-fluoro-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]ethyl-diisobutyl-ammonium Formula: C21H32ClFN3O2+ MolecularWeight: 412.949083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClFN3O2/c1-14(2)11-25(12-15(3)4)8-7-24-21(28)16-9-20(27)26(13-16)17-5-6-19(23)18(22)10-17/h5-6,10,14-16H,7-9,11-13H2,1-4H3,(H,24,28)/p+1