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

Systemtic Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C22H25ClN3+ MolecularWeight: 366.907

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3/c23-21-8-6-19(7-9-21)22-20(15-24-25-22)16-26-12-10-18(11-13-26)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2,(H,24,25)/p+1