(3R)-3-ethyl-4-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-ethyl-4-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-ethyl-4-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-ethyl-4-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCC[NH+]1CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

CC[C@@H]1C(=O)NCC[NH+]1CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C23H25FN4O2/c1-3-21-23(29)25-11-12-27(21)14-16-15-28(17-7-5-4-6-8-17)26-22(16)19-10-9-18(30-2)13-20(19)24/h4-10,13,15,21H,3,11-12,14H2,1-2H3,(H,25,29)/p+1/t21-/m1/s1