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

Systemtic Name: 1-[[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-[[1-methyl-3-(p-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-methyl-3-(4-methylphenyl)-4-pyrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-methyl-3-(p-tolyl)pyrazol-4-yl]methyl]piperazin-4-ium Formula: C16H23N4+ MolecularWeight: 271.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CN3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CN3CC[NH2+]CC3)C

InChI

InChI=1S/C16H22N4/c1-13-3-5-14(6-4-13)16-15(11-19(2)18-16)12-20-9-7-17-8-10-20/h3-6,11,17H,7-10,12H2,1-2H3/p+1