N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H25ClN6O+2 MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23ClN6O/c1-26-20(14-18(25-26)16-5-7-17(22)8-6-16)24-21(29)15-27-10-12-28(13-11-27)19-4-2-3-9-23-19/h2-9,14H,10-13,15H2,1H3,(H,24,29)/p+2