N,N-diethyl-2-[4-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C26H31FN5O2+ MolecularWeight: 464.555043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C26H30FN5O2/c1-3-30(4-2)24(33)19-29-14-16-31(17-15-29)26(34)23-18-32(22-8-6-5-7-9-22)28-25(23)20-10-12-21(27)13-11-20/h5-13,18H,3-4,14-17,19H2,1-2H3/p+1