5-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1H-pyrazole-4-carboxamide Formula: C20H22ClN6O+ MolecularWeight: 397.88128

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN6O/c1-26-8-10-27(11-9-26)18-7-6-16(12-22-18)24-20(28)17-13-23-25-19(17)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,25)(H,24,28)/p+1