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

Systemtic Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium Openeye Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium CAS Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium IUPAC Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium Traditional Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium Formula: C16H20Cl2N3+ MolecularWeight: 325.2561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H19Cl2N3/c17-13-5-6-14(15(18)9-13)16-12(10-19-20-16)11-21-7-3-1-2-4-8-21/h5-6,9-10H,1-4,7-8,11H2,(H,19,20)/p+1