[1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-fluorophenyl)-4-propoxy-3-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-fluorophenyl)-4-propoxy-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H24FN4O2+ MolecularWeight: 347.407163

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN(N=C1C(=O)N2CC[NH+](CC2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOC1=CN(N=C1C(=O)N2CC[NH+](CC2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H23FN4O2/c1-3-12-25-16-13-23(15-6-4-14(19)5-7-15)20-17(16)18(24)22-10-8-21(2)9-11-22/h4-7,13H,3,8-12H2,1-2H3/p+1