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

Systemtic Name: N-[2-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]propanamide Openeye Name: N-[2-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]propanamide CAS Name: N-[2-(4-methylphenyl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-pyrazolyl]propanamide IUPAC Name: N-[2-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]propanamide Traditional Name: N-[2-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]propionamide Formula: C23H27N6O2+ MolecularWeight: 419.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC(=O)NC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N6O2/c1-3-21(30)26-22-19(16-25-29(22)18-9-7-17(2)8-10-18)23(31)28-14-12-27(13-15-28)20-6-4-5-11-24-20/h4-11,16H,3,12-15H2,1-2H3,(H,26,30)/p+1