(4-chlorophenyl)-[3-oxidanyl-3-pyridin-1-ium-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

Systemtic Name: (4-chlorophenyl)-[3-oxidanyl-3-pyridin-1-ium-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: (4-chlorophenyl)-[3-hydroxy-3-pyridin-1-ium-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone CAS Name: (4-chlorophenyl)-[3-hydroxy-3-(4-pyridin-1-iumyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone IUPAC Name: (4-chlorophenyl)-[3-hydroxy-3-pyridin-1-ium-4-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Traditional Name: (4-chlorophenyl)-[5-hydroxy-5-pyridin-1-ium-4-yl-3-(trifluoromethyl)-3-pyrazolin-1-yl]methanone Formula: C16H12ClF3N3O2+ MolecularWeight: 370.73359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N2C(C=C(N2)C(F)(F)F)(C3=CC=[NH+]C=C3)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)N2C(C=C(N2)C(F)(F)F)(C3=CC=[NH+]C=C3)O)Cl

InChI

InChI=1S/C16H11ClF3N3O2/c17-12-3-1-10(2-4-12)14(24)23-15(25,11-5-7-21-8-6-11)9-13(22-23)16(18,19)20/h1-9,22,25H/p+1