3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C26H32FN4O2+ MolecularWeight: 451.556283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C26H31FN4O2/c1-19-23(20(2)31(28-19)22-7-5-4-6-8-22)10-12-26(32)30-15-13-29(14-16-30)18-21-9-11-25(33-3)24(27)17-21/h4-9,11,17H,10,12-16,18H2,1-3H3/p+1