1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Formula: C17H25N4+ MolecularWeight: 285.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H24N4/c1-13-4-5-15(10-14(13)2)17-16(11-18-19-17)12-21-8-6-20(3)7-9-21/h4-5,10-11H,6-9,12H2,1-3H3,(H,18,19)/p+1