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

Systemtic Name: 4-(4-chlorophenyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-chlorophenyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol CAS Name: 4-(4-chlorophenyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-chlorophenyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-chlorophenyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H24ClN3O2/c1-28-20-8-2-16(3-9-20)21-17(14-24-25-21)15-26-12-10-22(27,11-13-26)18-4-6-19(23)7-5-18/h2-9,14,27H,10-13,15H2,1H3,(H,24,25)/p+1