[5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(3-fluorophenyl)-3-propyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(3-fluorophenyl)-3-propylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C)CC)C3=CC(=CC=C3)F

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)C)CC)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H27FN4O/c1-4-7-17-19(20(26)24-12-10-23(3)11-13-24)18(5-2)25(22-17)16-9-6-8-15(21)14-16/h6,8-9,14H,4-5,7,10-13H2,1-3H3/p+1