1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C21H22Cl2N3+ MolecularWeight: 387.32548

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21Cl2N3/c22-18-5-1-15(2-6-18)14-26-11-9-17(10-12-26)21-13-20(24-25-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2,(H,24,25)/p+1