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

Systemtic Name: N-[2-(2-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]furan-2-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]furan-2-carboxamide CAS Name: N-[2-(2-chlorophenyl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-pyrazolyl]-2-furancarboxamide IUPAC Name: N-[2-(2-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]furan-2-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]-2-furamide Formula: C24H22ClN6O3+ MolecularWeight: 477.92288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4Cl)NC(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4Cl)NC(=O)C5=CC=CO5

InChI

InChI=1S/C24H21ClN6O3/c25-18-6-1-2-7-19(18)31-22(28-23(32)20-8-5-15-34-20)17(16-27-31)24(33)30-13-11-29(12-14-30)21-9-3-4-10-26-21/h1-10,15-16H,11-14H2,(H,28,32)/p+1