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

Systemtic Name: N-[2-(4-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]propanamide Openeye Name: N-[2-(4-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]propanamide CAS Name: N-[2-(4-chlorophenyl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-pyrazolyl]propanamide IUPAC Name: N-[2-(4-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]propanamide Traditional Name: N-[2-(4-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]propionamide Formula: C22H24ClN6O2+ MolecularWeight: 439.91796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6O2/c1-2-20(30)26-21-18(15-25-29(21)17-8-6-16(23)7-9-17)22(31)28-13-11-27(12-14-28)19-5-3-4-10-24-19/h3-10,15H,2,11-14H2,1H3,(H,26,30)/p+1