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

Systemtic Name: [1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: diphenyl-[1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: diphenyl-[1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C29H31N3O/c1-22-12-14-23(15-13-22)28-24(20-30-31-28)21-32-18-16-27(17-19-32)29(33,25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,20,27,33H,16-19,21H2,1H3,(H,30,31)/p+1