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

Systemtic Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C22H24Cl2N3+ MolecularWeight: 401.35206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N3/c23-19-6-7-20(21(24)13-19)22-18(14-25-26-22)15-27-10-8-17(9-11-27)12-16-4-2-1-3-5-16/h1-7,13-14,17H,8-12,15H2,(H,25,26)/p+1