(4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-propan-2-yl-pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-propan-2-yl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-isopropyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(3-fluorophenyl)-5-propan-2-yl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-isopropyl-pyrazol-4-yl]methanone Formula: C19H26FN4O+ MolecularWeight: 345.434343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN4O/c1-4-22-8-10-23(11-9-22)19(25)17-13-21-24(18(17)14(2)3)16-7-5-6-15(20)12-16/h5-7,12-14H,4,8-11H2,1-3H3/p+1