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

Systemtic Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C23H28N3+ MolecularWeight: 346.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3/c1-18-7-9-21(10-8-18)23-22(16-24-25-23)17-26-13-11-20(12-14-26)15-19-5-3-2-4-6-19/h2-10,16,20H,11-15,17H2,1H3,(H,24,25)/p+1