1-[4-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c1-22(34)23-8-12-26(13-9-23)32-18-16-31(17-19-32)20-25-21-33(27-6-4-3-5-7-27)30-29(25)24-10-14-28(35-2)15-11-24/h3-15,21H,16-20H2,1-2H3/p+1