1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Openeye Name: 1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium IUPAC Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: 1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCCC3

InChI

InChI=1S/C16H21N3/c1-13-5-7-14(8-6-13)16-15(11-17-18-16)12-19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,12H2,1H3,(H,17,18)/p+1