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

Systemtic Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N6O+2 MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H26N6O/c1-17-6-8-19(9-7-17)28-21(15-18(2)25-28)24-22(29)16-26-11-13-27(14-12-26)20-5-3-4-10-23-20/h3-10,15H,11-14,16H2,1-2H3,(H,24,29)/p+2