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

Systemtic Name: diethyl-[3-[[(4R)-1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylideneazaniumyl]propyl]azanium Openeye Name: diethyl-[3-[[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyleneammonio]propyl]ammonium CAS Name: diethyl-[3-[[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneammonio]propyl]ammonium IUPAC Name: diethyl-[3-[[(4R)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneazaniumyl]propyl]azanium Traditional Name: diethyl-[3-[[(4R)-1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]methyleneammonio]propyl]ammonium Formula: C20H31FN4O+2 MolecularWeight: 362.484743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN4O/c1-4-8-19-18(15-22-13-7-14-24(5-2)6-3)20(26)25(23-19)17-11-9-16(21)10-12-17/h9-12,15,18H,4-8,13-14H2,1-3H3/p+2/b22-15+/t18-/m1/s1