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

Systemtic Name: (4Z)-2-(4-fluorophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-fluorophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(4-fluorophenyl)-4-[(4-piperidin-1-iumylmethylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-fluorophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-fluorophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C19H26FN4O+ MolecularWeight: 345.434343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC2CC[NH2+]CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C\NCC2CC[NH2+]CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H25FN4O/c1-2-3-18-17(13-22-12-14-8-10-21-11-9-14)19(25)24(23-18)16-6-4-15(20)5-7-16/h4-7,13-14,21-22H,2-3,8-12H2,1H3/p+1/b17-13-