(E)-[(4R)-1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylidene-propyl-azanium

Systemtic Name: (E)-[(4R)-1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylidene-propyl-azanium Openeye Name: (E)-[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylene-propyl-ammonium CAS Name: (E)-[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylidene-propylammonium IUPAC Name: (E)-[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylidene-propylazanium Traditional Name: (E)-[(4R)-1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]methylene-propyl-ammonium Formula: C16H21FN3O+ MolecularWeight: 290.355843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=[NH+]CCC)C2=CC=C(C=C2)F

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1/C=[NH+]/CCC)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H20FN3O/c1-3-5-15-14(11-18-10-4-2)16(21)20(19-15)13-8-6-12(17)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3/p+1/b18-11+/t14-/m1/s1