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

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c1-24-12-14-25(15-13-24)16-19-17-26(20-6-4-3-5-7-20)23-22(19)18-8-10-21(27-2)11-9-18/h3-11,17H,12-16H2,1-2H3/p+1