4-[1-(2-chlorophenyl)pyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 4-[1-(2-chlorophenyl)pyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 4-[1-(2-chlorophenyl)pyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 4-[1-(2-chlorophenyl)-4-pyrazolyl]-2-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-[1-(2-chlorophenyl)pyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 4-[1-(2-chlorophenyl)pyrazol-4-yl]-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C18H20ClN6+ MolecularWeight: 355.8446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H19ClN6/c1-23-8-10-24(11-9-23)18-20-7-6-16(22-18)14-12-21-25(13-14)17-5-3-2-4-15(17)19/h2-7,12-13H,8-11H2,1H3/p+1