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

Systemtic Name: N-[2-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]ethanamide Openeye Name: N-[2-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]acetamide CAS Name: N-[2-(4-methylphenyl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]acetamide Traditional Name: N-[2-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]acetamide Formula: C22H25N6O2+ MolecularWeight: 405.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C

InChI

InChI=1S/C22H24N6O2/c1-16-6-8-18(9-7-16)28-21(25-17(2)29)19(15-24-28)22(30)27-13-11-26(12-14-27)20-5-3-4-10-23-20/h3-10,15H,11-14H2,1-2H3,(H,25,29)/p+1