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

Systemtic Name: 2-(4-chlorophenyl)-1-ethyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(4-chlorophenyl)-1-ethyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(4-chlorophenyl)-1-ethyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(4-chlorophenyl)-1-ethyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(4-chlorophenyl)-1-ethyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C20H23ClN5+ MolecularWeight: 368.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1C2=CC=C(C=C2)Cl)C3=CC=NN3)C4=CC=NC=C4

Isomeric SMILES

CC[N+]1(CCN(CC1C2=CC=C(C=C2)Cl)C3=CC=NN3)C4=CC=NC=C4

InChI

InChI=1S/C20H23ClN5/c1-2-26(18-7-10-22-11-8-18)14-13-25(20-9-12-23-24-20)15-19(26)16-3-5-17(21)6-4-16/h3-12,19H,2,13-15H2,1H3,(H,23,24)/q+1