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

Systemtic Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium Openeye Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium CAS Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium IUPAC Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium Traditional Name: 1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]azepan-1-ium Formula: C16H21ClN3+ MolecularWeight: 290.81104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3/c17-15-7-5-13(6-8-15)16-14(11-18-19-16)12-20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10,12H2,(H,18,19)/p+1