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

Systemtic Name: 2-(4-chlorophenyl)-1-(2-methoxyphenyl)-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(4-chlorophenyl)-1-(2-methoxyphenyl)-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(4-chlorophenyl)-1-(2-methoxyphenyl)-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(4-chlorophenyl)-1-(2-methoxyphenyl)-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(4-chlorophenyl)-1-(2-methoxyphenyl)-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C25H25ClN5O+ MolecularWeight: 446.9519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(CCN(CC2C3=CC=C(C=C3)Cl)C4=CC=NN4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC=C1[N+]2(CCN(CC2C3=CC=C(C=C3)Cl)C4=CC=NN4)C5=CC=NC=C5

InChI

InChI=1S/C25H25ClN5O/c1-32-24-5-3-2-4-22(24)31(21-10-13-27-14-11-21)17-16-30(25-12-15-28-29-25)18-23(31)19-6-8-20(26)9-7-19/h2-15,23H,16-18H2,1H3,(H,28,29)/q+1