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

Systemtic Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Formula: C22H33N4+ MolecularWeight: 353.52422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)C4CCCCC4)C

InChI

InChI=1S/C22H32N4/c1-24-12-14-26(15-13-24)17-21-16-25(2)23-22(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15,17H2,1-2H3/p+1