[4-[3-(trifluoromethyl)pyrazol-1-yl]carbonylphenyl]methylazanium

Systemtic Name: [4-[3-(trifluoromethyl)pyrazol-1-yl]carbonylphenyl]methylazanium Openeye Name: [4-[3-(trifluoromethyl)pyrazole-1-carbonyl]phenyl]methylammonium CAS Name: [4-[oxo-[3-(trifluoromethyl)-1-pyrazolyl]methyl]phenyl]methylammonium IUPAC Name: [4-[3-(trifluoromethyl)pyrazole-1-carbonyl]phenyl]methylazanium Traditional Name: [4-[3-(trifluoromethyl)pyrazole-1-carbonyl]benzyl]ammonium Formula: C12H11F3N3O+ MolecularWeight: 270.23045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH3+])C(=O)N2C=CC(=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C[NH3+])C(=O)N2C=CC(=N2)C(F)(F)F

InChI

InChI=1S/C12H10F3N3O/c13-12(14,15)10-5-6-18(17-10)11(19)9-3-1-8(7-16)2-4-9/h1-6H,7,16H2/p+1