[1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C28H28Cl2N3O+ MolecularWeight: 493.44742

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=C(NN=C4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=C(NN=C4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H27Cl2N3O/c29-24-11-12-25(26(30)17-24)27-20(18-31-32-27)19-33-15-13-23(14-16-33)28(34,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,17-18,23,34H,13-16,19H2,(H,31,32)/p+1