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

Systemtic Name: (E)-3-ethoxypropyl-[[(4S)-1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylidene]azanium Openeye Name: (E)-3-ethoxypropyl-[[(4S)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylene]ammonium CAS Name: (E)-3-ethoxypropyl-[[(4S)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylidene]ammonium IUPAC Name: (E)-3-ethoxypropyl-[[(4S)-1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylidene]azanium Traditional Name: (E)-3-ethoxypropyl-[[(4S)-1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]methylene]ammonium Formula: C18H25FN3O2+ MolecularWeight: 334.408403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN3O2/c1-3-6-17-16(13-20-11-5-12-24-4-2)18(23)22(21-17)15-9-7-14(19)8-10-15/h7-10,13,16H,3-6,11-12H2,1-2H3/p+1/b20-13+/t16-/m0/s1