2-(4-chlorophenyl)-4-ethyl-1-methyl-5-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 2-(4-chlorophenyl)-4-ethyl-1-methyl-5-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(4-chlorophenyl)-4-ethyl-1-methyl-5-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(4-chlorophenyl)-4-ethyl-1-methyl-5-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(4-chlorophenyl)-4-ethyl-1-methyl-5-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(4-chlorophenyl)-4-ethyl-1-methyl-5-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C21H25ClN5+ MolecularWeight: 382.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC([N+](CC1C2=CC=NN2)(C)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1CC([N+](CC1C2=CC=NN2)(C)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN5/c1-3-26-14-21(16-4-6-17(22)7-5-16)27(2,18-8-11-23-12-9-18)15-20(26)19-10-13-24-25-19/h4-13,20-21H,3,14-15H2,1-2H3,(H,24,25)/q+1