(4Z)-2-(4-fluorophenyl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(4-fluorophenyl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-fluorophenyl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(4-fluorophenyl)-4-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-fluorophenyl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-fluorophenyl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-5-propyl-2-pyrazolin-3-one Formula: C18H25FN5O+ MolecularWeight: 346.422403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNN2CC[NH+](CC2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C\NN2CC[NH+](CC2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H24FN5O/c1-3-4-17-16(13-20-23-11-9-22(2)10-12-23)18(25)24(21-17)15-7-5-14(19)6-8-15/h5-8,13,20H,3-4,9-12H2,1-2H3/p+1/b16-13-