[1-[(4-fluoranylphenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[(4-fluoranylphenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(4-fluorophenoxy)methyl]-3-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C18H24FN4O2+ MolecularWeight: 347.407163

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=C(C=C3)F

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=C(C=C3)F

InChI

InChI=1S/C18H23FN4O2/c1-2-8-21-10-12-22(13-11-21)18(24)17-7-9-23(20-17)14-25-16-5-3-15(19)4-6-16/h3-7,9H,2,8,10-14H2,1H3/p+1