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

Systemtic Name: [5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(3-fluorophenyl)-3-propyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-ethyl-1-(3-fluorophenyl)-3-propylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H30FN4O+ MolecularWeight: 373.487503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O/c1-4-8-18-20(21(27)25-13-11-24(6-3)12-14-25)19(5-2)26(23-18)17-10-7-9-16(22)15-17/h7,9-10,15H,4-6,8,11-14H2,1-3H3/p+1