(4Z)-2-(4-fluorophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(4-fluorophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-fluorophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(4-fluorophenyl)-4-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-fluorophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-fluorophenyl)-4-[(2-piperazin-4-ium-1-ylethylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C19H27FN5O+ MolecularWeight: 360.448983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCN2CC[NH2+]CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C\NCCN2CC[NH2+]CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN5O/c1-2-3-18-17(14-22-10-13-24-11-8-21-9-12-24)19(26)25(23-18)16-6-4-15(20)5-7-16/h4-7,14,21-22H,2-3,8-13H2,1H3/p+1/b17-14-